data_5jyv_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 5jyv _Structure_validation_residue.Date_analyzed 2017-03-24 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 full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 121.011 0.434 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . -114.29 25.16 10.76 Favored Glycine 0 CA--C 1.517 0.194 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.764 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -93.32 123.76 36.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.063 0.459 . . . . 0.0 111.386 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . 0.497 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 86.4 mt -123.09 131.61 72.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.229 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 617' ' ' VAL . . . . . 0.401 ' HB ' ' HG3' ' A' ' 656' ' ' PRO . 86.5 t -109.13 126.88 66.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.16 0.505 . . . . 0.0 111.026 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 55.5 tp -112.45 125.36 54.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.498 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 60.7 t -116.68 117.19 54.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.311 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 33.1 t -165.92 141.48 4.9 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.49 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 37.2 mp0 -70.61 -28.29 64.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.631 0.253 . . . . 0.0 111.245 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -80.6 108.01 13.88 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.27 0.557 . . . . 0.0 111.272 -178.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.42 -36.22 82.26 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.192 -0.913 . . . . 0.0 113.255 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -59.68 -46.91 87.63 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -178.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 625' ' ' THR . . . . . 0.401 ' O ' HG12 ' A' ' 629' ' ' ILE . 92.4 m -67.45 -41.41 84.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.295 0.569 . . . . 0.0 110.013 178.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 68.3 m -62.09 -41.0 97.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.208 -0.906 . . . . 0.0 112.077 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 88.5 m -62.47 -43.81 97.91 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 120.748 0.309 . . . . 0.0 110.993 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 64.0 tp -63.87 -44.98 91.45 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.693 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 629' ' ' ILE . . . . . 0.509 ' O ' HG22 ' A' ' 632' ' ' ILE . 41.8 mm -63.1 -44.11 99.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.15 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 630' ' ' CYS . . . . . 0.5 ' SG ' HG11 ' A' ' 640' ' ' VAL . 98.7 m -61.9 -44.41 96.85 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.252 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 65.0 m -66.96 -39.98 87.36 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 -178.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 632' ' ' ILE . . . . . 0.509 HG22 ' O ' ' A' ' 629' ' ' ILE . 20.3 tt -69.16 -43.15 81.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -178.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 633' ' ' LEU . . . . . . . . . . . . . 85.7 mt -70.54 -36.84 73.92 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 634' ' ' THR . . . . . 0.812 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 0.7 OUTLIER -62.87 -44.57 95.77 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -179.376 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 635' ' ' THR . . . . . 0.504 HG22 ' H ' ' B' ' 5' ' ' ARG . 26.3 p -67.36 -16.38 64.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.7 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -89.89 1.27 56.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.137 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 102.53 -0.61 49.57 Favored Glycine 0 C--N 1.335 0.512 0 C-N-CA 120.946 -0.645 . . . . 0.0 113.825 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 638' ' ' TYR . . . . . 0.812 ' O ' ' HA ' ' A' ' 634' ' ' THR . 96.7 m-85 -100.51 158.22 16.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.023 0.412 . . . . 0.0 111.036 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -113.63 122.15 46.32 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 640' ' ' VAL . . . . . 0.5 HG11 ' SG ' ' A' ' 630' ' ' CYS . 47.0 t -107.45 130.1 60.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.201 0.524 . . . . 0.0 112.146 -179.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 641' ' ' ILE . . . . . . . . . . . . . 84.2 mt -116.26 123.57 71.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 115.532 -0.758 . . . . 0.0 108.995 178.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 642' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -95.55 117.61 30.74 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.012 0.434 . . . . 0.0 110.437 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 90.2 mt -117.1 144.62 44.48 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.101 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 16.6 m -75.26 152.65 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -78.95 168.25 19.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.373 0.606 . . . . 0.0 112.531 -177.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 91.51 -11.29 72.55 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.173 -0.922 . . . . 0.0 113.047 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -115.18 92.7 4.01 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 73.5 t -68.79 -38.93 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 49.4 mp0 -58.29 -38.45 77.03 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.606 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . 0.434 ' NH1' ' HA ' ' B' ' 22' ' ' VAL . 38.4 mmt180 -63.91 -37.86 88.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.746 0.308 . . . . 0.0 110.189 178.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.72 -42.24 91.29 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 178.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 92.2 mt -66.05 -38.87 89.46 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.804 178.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -58.67 -39.65 81.25 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.364 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 86.7 mt -109.7 29.75 7.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.304 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 655' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -35.47 103.56 0.24 Allowed Pre-proline 0 N--CA 1.479 1.002 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -178.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 656' ' ' PRO . . . . . 0.401 ' HG3' ' HB ' ' A' ' 617' ' ' VAL . 37.6 Cg_endo -88.06 -175.45 1.38 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.837 3.025 . . . . 0.0 112.99 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 44.8 pt -82.45 -25.74 8.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.395 0.616 . . . . 0.0 109.622 177.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -152.28 146.93 25.78 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.265 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 71.3 t -114.34 126.03 71.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.522 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 85.2 mt -105.46 120.51 41.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.534 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 86.7 mt -111.09 118.98 37.49 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -108.49 121.75 45.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.193 0.52 . . . . 0.0 111.566 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -76.43 158.93 80.79 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.029 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 664' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -89.74 161.1 35.91 Favored 'Cis proline' 0 C--N 1.351 0.706 0 C-N-CA 124.242 -1.149 . . . . 0.0 113.603 -0.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -112.45 119.23 37.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.914 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 78.5 p -99.82 -17.25 17.75 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -107.1 7.38 29.61 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -169.88 167.32 40.43 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.029 -1.081 . . . . 0.0 112.833 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -96.17 133.18 40.79 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.666 -0.124 . . . . 0.0 110.666 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 79.2 t -59.63 -46.44 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.291 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -63.83 -38.5 91.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.01 -47.57 85.3 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.498 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 82.7 mt -63.69 -41.24 98.17 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.273 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 71.6 t -62.5 -47.4 93.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-O 120.965 0.412 . . . . 0.0 110.337 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -62.4 -44.06 97.34 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.594 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -63.32 -40.98 98.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.243 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.71 -39.51 93.77 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-O 120.658 0.266 . . . . 0.0 110.642 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -63.35 -38.62 91.86 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.33 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -67.22 -38.28 85.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.197 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -88.78 -36.1 16.28 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -177.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 75.6 m -122.42 140.12 53.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.746 0.308 . . . . 0.0 111.439 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 73.0 p -71.58 150.79 93.67 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -64.21 -27.69 64.43 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.583 2.188 . . . . 0.0 113.131 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -76.35 -24.46 54.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.582 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -95.55 -35.9 11.48 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 686' ' ' LEU . . . . . . . . . . . . . 69.7 tp -126.17 130.2 50.53 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.245 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -103.94 146.25 28.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 688' ' ' ILE . . . . . . . . . . . . . 81.7 mt -120.09 128.5 75.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.092 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -125.24 143.03 51.15 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 86.6 mt -120.02 128.92 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.048 0.451 . . . . 0.0 112.215 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 691' ' ' LEU . . . . . 0.477 ' HG ' ' HB ' ' A' ' 704' ' ' ILE . 4.3 mp -104.64 126.87 52.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.047 178.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 692' ' ' GLY . . . . . 0.532 ' O ' ' HA ' ' A' ' 705' ' ' PRO . . . 147.02 -123.09 1.7 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 119.799 -1.191 . . . . 0.0 113.116 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 63.5 m -119.15 151.38 38.42 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.527 -0.175 . . . . 0.0 110.527 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 64.43 -98.76 0.06 Allowed 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.564 0.54 . . . . 0.0 110.914 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . 82.69 6.56 88.39 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.891 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -82.18 69.34 8.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.023 0.439 . . . . 0.0 110.719 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -125.61 152.94 44.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.601 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -71.72 147.23 47.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.557 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 86.45 3.49 84.2 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.681 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 59.6 t -109.59 120.26 60.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -66.21 -44.99 82.3 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.974 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -158.85 148.7 19.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.67 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -112.93 147.81 36.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.009 0.433 . . . . 0.0 110.874 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 704' ' ' ILE . . . . . 0.477 ' HB ' ' HG ' ' A' ' 691' ' ' LEU . 4.7 mp -118.03 103.07 50.44 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.058 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 705' ' ' PRO . . . . . 0.532 ' HA ' ' O ' ' A' ' 692' ' ' GLY . 70.4 Cg_endo -72.81 147.48 44.54 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.563 2.175 . . . . 0.0 113.476 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 8.4 mp -100.24 151.96 37.68 Favored Pre-proline 0 N--CA 1.464 0.271 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.642 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 707' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -71.49 152.44 96.14 Favored 'Cis proline' 0 C--N 1.352 0.72 0 C-N-CA 123.783 -1.34 . . . . 0.0 112.482 -0.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 708' ' ' ILE . . . . . . . . . . . . . 33.3 pt -107.68 156.02 8.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.366 0.603 . . . . 0.0 111.746 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -110.9 147.87 37.42 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -52.74 -50.99 12.15 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.397 2.065 . . . . 0.0 113.232 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 51.1 mp0 -66.05 -39.72 90.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.408 179.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 68.3 m -63.18 -47.73 81.38 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.668 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 713' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -60.19 -49.36 77.92 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.445 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 62.2 tp -61.44 -43.24 99.21 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -63.58 -41.78 98.35 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.246 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -64.87 -41.63 95.49 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.739 -0.209 . . . . 0.0 110.924 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 717' ' ' VAL . . . . . . . . . . . . . 65.8 t -65.09 -45.27 94.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.566 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 89.3 m -60.72 -46.88 88.72 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.337 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.28 -39.0 93.03 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.976 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -65.89 -21.99 69.94 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.612 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.01 -15.92 62.05 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.89 75.8 2.81 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.114 0.483 . . . . 0.0 109.964 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 87.7 p -155.25 170.8 21.02 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.155 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 724' ' ' LEU . . . . . 0.442 ' HG ' ' N ' ' A' ' 725' ' ' ALA . 54.1 tp 63.65 -110.7 0.3 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.55 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 725' ' ' ALA . . . . . 0.442 ' N ' ' HG ' ' A' ' 724' ' ' LEU . . . -102.35 -8.39 21.23 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 51.02 42.99 29.14 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.825 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 59.6 m -126.86 144.29 51.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.797 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -63.23 -40.51 97.66 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.688 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.098 -0.953 . . . . 0.0 110.602 179.893 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 78.3 mtm . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.935 0.398 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.83 -50.42 81.55 Favored Pre-proline 0 CA--C 1.539 0.556 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.758 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -60.07 139.07 85.72 Favored 'Trans proline' 0 C--N 1.363 1.298 0 C-N-CA 122.072 1.848 . . . . 0.0 112.717 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.576 ' HG ' ' N ' ' B' ' 5' ' ' ARG . 0.1 OUTLIER -147.34 154.42 40.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.01 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.576 ' N ' ' HG ' ' B' ' 4' ' ' LEU . 2.2 mtp180 70.47 15.44 7.23 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.73 0.812 . . . . 0.0 112.109 -178.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -108.2 89.37 2.97 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.789 HG23 ' OG1' ' A' ' 634' ' ' THR . 30.6 p -131.28 159.9 36.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.37 -178.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.465 ' HB2' ' CD2' ' B' ' 40' ' ' TYR . . . -96.57 144.1 26.95 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 66.7 t -117.4 125.67 74.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -178.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 6.4 mp -106.94 130.53 54.58 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.208 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -107.52 134.9 49.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.017 0.437 . . . . 0.0 111.299 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.464 ' CD1' HD12 ' B' ' 42' ' ' LEU . 69.1 mt -119.05 118.63 31.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.47 178.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' TYR . . . . . 0.444 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 71.8 m-85 -98.98 117.54 33.72 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 177.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.7 m -139.05 173.57 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.171 -177.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.14 127.08 53.77 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.89 69.11 2.71 Favored Glycine 0 CA--C 1.515 0.091 0 C-N-CA 120.798 -0.715 . . . . 0.0 113.451 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -167.68 -50.65 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.588 ' HB ' ' OD1' ' B' ' 20' ' ' ASN . 0.6 OUTLIER -73.22 130.06 85.12 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.606 -178.55 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -55.0 -38.48 93.34 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.121 2.548 . . . . 0.0 113.208 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . 0.588 ' OD1' ' HB ' ' B' ' 18' ' ' THR . 23.3 p-10 -68.05 -24.39 65.07 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.742 0.306 . . . . 0.0 110.735 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 52.7 m -88.07 -39.48 14.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.18 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.434 ' HA ' ' NH1' ' A' ' 650' ' ' ARG . 68.7 t -65.76 -47.24 86.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.319 179.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -73.1 -19.71 61.09 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.135 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.13 81.76 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.066 0.46 . . . . 0.0 110.742 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.52 -41.33 97.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.833 178.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -63.83 -40.72 97.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.096 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 72.6 p -71.13 -38.28 72.27 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.625 0.25 . . . . 0.0 111.435 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -68.09 -47.17 68.96 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.972 0.415 . . . . 0.0 110.928 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.56 -39.93 95.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.372 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -59.83 -45.31 92.79 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -178.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.3 mt -68.8 -44.28 82.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.884 0.373 . . . . 0.0 111.527 -179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 81.9 mt -70.77 -37.36 73.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.292 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.528 ' O ' ' HB3' ' B' ' 37' ' ' LYS . 14.3 tm-20 -62.36 -37.38 85.47 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.667 0.618 . . . . 0.0 112.667 -178.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -96.76 -58.02 2.15 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -70.22 -40.77 74.33 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 -176.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -128.9 52.47 1.94 Allowed 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.309 -0.556 . . . . 0.0 112.468 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.528 ' HB3' ' O ' ' B' ' 33' ' ' GLU . 11.8 ptmm? -79.62 139.86 37.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.025 0.44 . . . . 0.0 111.686 -179.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.17 -0.21 89.0 Favored Glycine 0 C--N 1.332 0.31 0 CA-C-N 115.866 -0.607 . . . . 0.0 113.228 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 27.5 t -109.04 -41.58 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.917 0.389 . . . . 0.0 111.255 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . 0.465 ' CD2' ' HB2' ' B' ' 8' ' ' ALA . 97.5 m-85 -117.96 129.79 55.82 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -178.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.1 145.72 26.27 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 176.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.464 HD12 ' CD1' ' B' ' 12' ' ' LEU . 54.0 tp -113.22 131.86 55.73 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -177.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -119.56 130.87 55.37 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 62.0 t -124.82 130.41 73.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 -178.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.2 mp -119.17 128.75 75.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.059 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -92.39 109.92 21.32 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.663 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 26.7 m -65.93 -20.43 27.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -178.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 99.1 mt -82.33 -14.98 54.45 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.609 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.06 -38.41 9.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.653 0.263 . . . . 0.0 111.049 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.733 ' OD1' ' HG ' ' B' ' 53' ' ' LEU . 8.7 t-20 -135.89 80.47 42.6 Favored Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.72 -35.43 97.7 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.762 2.975 . . . . 0.0 114.531 -178.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 17.0 pm0 -64.07 -24.48 67.72 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . 0.733 ' HG ' ' OD1' ' B' ' 50' ' ' ASN . 86.6 mt -64.65 -40.88 96.22 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.208 178.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.89 -40.43 96.5 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.666 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.49 -37.59 88.07 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.192 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.54 -38.28 89.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.901 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -92.46 7.34 43.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.236 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 64.5 mttp 56.35 40.11 29.89 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 88.1 mt -110.7 118.11 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.331 . . . . 0.0 110.571 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 89.5 mt -112.59 9.57 19.43 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.414 ' O ' HG23 ' B' ' 62' ' ' THR . . . -138.36 150.95 47.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.602 0.239 . . . . 0.0 111.291 -179.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' THR . . . . . 0.414 HG23 ' O ' ' B' ' 61' ' ' ALA . 72.1 p -144.86 153.84 54.5 Favored Pre-proline 0 N--CA 1.465 0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.463 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . 0.444 ' HA ' ' O ' ' B' ' 13' ' ' TYR . 11.1 Cg_exo -74.95 142.87 76.06 Favored 'Cis proline' 0 C--N 1.35 0.651 0 C-N-CA 124.369 -1.096 . . . . 0.0 112.949 -1.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 93.7 m -128.37 130.77 48.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.801 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 63.1 tp -101.98 121.81 42.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.663 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -112.57 131.29 55.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.062 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -95.26 118.32 31.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.233 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 61.6 t -90.71 -53.09 9.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.989 0.423 . . . . 0.0 111.04 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.441 ' O ' ' HB1' ' B' ' 8' ' ' ALA . 71.6 mt -132.12 147.08 64.36 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.363 -179.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -81.37 148.28 72.72 Favored 'Cis proline' 0 C--N 1.349 0.592 0 C-N-CA 123.721 -1.366 . . . . 0.0 112.114 -1.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . 0.457 ' HA ' ' C ' ' B' ' 72' ' ' PRO . 72.6 Cg_endo -73.8 163.06 38.05 Favored 'Trans proline' 0 CA--C 1.534 0.495 0 C-N-CA 122.538 2.159 . . . . 0.0 112.137 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . 0.457 ' C ' ' HA ' ' B' ' 71' ' ' PRO . 31.5 Cg_exo -62.04 149.81 59.22 Favored 'Cis proline' 0 C--N 1.354 0.865 0 C-N-CA 124.832 -0.903 . . . . 0.0 113.679 0.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 27.2 m -70.12 150.9 9.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.268 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -132.86 152.91 51.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.351 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 -117.52 127.34 53.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.099 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 81.9 mt -118.87 119.43 60.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.919 0.39 . . . . 0.0 110.633 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 82.5 mt -120.92 125.89 74.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.947 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 174.39 -167.62 40.04 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.388 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -84.82 103.96 14.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.73 0.3 . . . . 0.0 110.587 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 96.6 mt -85.97 -7.33 58.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.547 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 73.9 m -66.11 -31.71 72.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.063 0.459 . . . . 0.0 110.264 178.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.408 ' O ' HG22 ' B' ' 86' ' ' VAL . 48.2 t-20 -82.48 111.46 18.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.133 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -60.38 -36.82 78.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.577 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -53.37 -55.23 26.68 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -63.94 -39.25 93.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.174 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.408 HG22 ' O ' ' B' ' 82' ' ' ASN . 74.6 t -62.28 -44.99 99.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.856 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.26 -42.04 99.11 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 85.2 mt -61.44 -47.51 93.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.351 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.07 -44.03 96.93 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.696 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 76.3 mt -67.03 -38.33 85.71 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.102 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -61.07 -41.87 97.44 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 110.467 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.93 -39.96 96.18 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.283 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.95 -38.68 91.97 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.602 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.485 ' O ' HG21 ' B' ' 97' ' ' ILE . . . -61.11 -42.24 98.16 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.713 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.6 -39.71 94.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.666 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.79 -41.43 95.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.791 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.485 HG21 ' O ' ' B' ' 94' ' ' ALA . 18.3 tt -75.81 -32.88 24.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.015 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -63.73 -38.13 95.73 Favored Glycine 0 C--N 1.336 0.552 0 C-N-CA 121.268 -0.491 . . . . 0.0 112.777 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -85.89 73.05 10.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.039 0.447 . . . . 0.0 110.624 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -134.32 129.24 35.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.497 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -124.07 146.03 48.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.591 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -89.6 109.08 20.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.197 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 32.0 t0 57.7 51.25 9.62 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 123.638 0.586 . . . . 0.0 111.944 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -63.32 -40.28 96.87 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.814 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 31.8 t70 71.39 -61.91 0.47 Allowed 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 115.714 -0.676 . . . . 0.0 112.086 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 63.5 mttp . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.344 -0.836 . . . . 0.0 111.027 -179.573 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . 0.576 ' HA ' ' OE2' ' B' ' 33' ' ' GLU . 45.7 mt-10 . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 121.084 0.469 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . -83.23 68.17 3.61 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.958 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 39.4 ptt180 -97.65 143.43 28.32 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.146 0.498 . . . . 0.0 110.832 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . 0.574 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 95.0 mt -129.41 133.95 64.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.168 -178.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 99.1 t -107.53 124.92 63.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.088 0.47 . . . . 0.0 110.054 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 59.8 tp -105.85 125.17 50.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.839 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 62.0 t -114.67 117.7 56.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 90.5 p -160.52 162.61 33.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.414 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -99.37 -11.97 20.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.815 0.34 . . . . 0.0 110.911 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -98.39 110.82 23.34 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.943 0.401 . . . . 0.0 111.283 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.5 -37.92 89.16 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -60.36 -44.79 95.25 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 625' ' ' THR . . . . . 0.406 ' O ' HG12 ' A' ' 629' ' ' ILE . 93.9 m -65.68 -42.09 91.66 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.068 0.461 . . . . 0.0 110.158 178.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 46.9 t -61.03 -42.53 98.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.712 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 89.5 m -59.89 -44.95 93.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.531 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 63.5 tp -65.3 -46.36 80.66 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.962 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 629' ' ' ILE . . . . . 0.406 HG12 ' O ' ' A' ' 625' ' ' THR . 40.4 mm -62.43 -45.52 98.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.709 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 630' ' ' CYS . . . . . 0.509 ' SG ' HG12 ' A' ' 640' ' ' VAL . 96.8 m -61.91 -42.48 99.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.746 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 70.8 m -64.14 -41.52 97.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.383 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.07 -50.68 79.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-O 120.869 0.366 . . . . 0.0 111.646 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 633' ' ' LEU . . . . . . . . . . . . . 83.9 mt -73.29 -40.34 64.61 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 634' ' ' THR . . . . . 0.642 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 87.1 m -65.21 -41.42 94.51 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -178.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 635' ' ' THR . . . . . . . . . . . . . 31.6 m -61.83 -38.09 86.87 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 121.141 0.496 . . . . 0.0 110.206 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -70.11 -8.28 48.33 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.287 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 107.87 9.98 27.36 Favored Glycine 0 C--N 1.333 0.4 0 C-N-CA 120.467 -0.873 . . . . 0.0 114.001 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 638' ' ' TYR . . . . . 0.642 ' O ' ' HA ' ' A' ' 634' ' ' THR . 96.9 m-85 -99.42 151.58 20.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 117.226 0.513 . . . . 0.0 110.656 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -101.82 108.15 19.56 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 640' ' ' VAL . . . . . 0.574 ' HA ' ' O ' ' A' ' 616' ' ' ILE . 59.1 t -107.36 128.7 62.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -178.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 641' ' ' ILE . . . . . 0.404 HD11 HG21 ' A' ' 641' ' ' ILE . 85.5 mt -118.32 124.7 73.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.139 -0.937 . . . . 0.0 108.578 177.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 642' ' ' TRP . . . . . . . . . . . . . 76.2 t90 -92.49 122.61 35.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.809 0.338 . . . . 0.0 110.58 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.09 144.6 45.49 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.507 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 13.0 m -75.52 152.53 6.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -75.6 161.92 28.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.29 0.566 . . . . 0.0 112.474 -177.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 91.0 -8.31 79.97 Favored Glycine 0 C--N 1.334 0.459 0 CA-C-N 115.327 -0.851 . . . . 0.0 113.666 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -114.24 91.09 3.51 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 72.0 t -70.36 -39.86 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.141 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 49.3 mp0 -58.91 -38.45 78.93 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.591 0.234 . . . . 0.0 110.555 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -64.24 -38.23 90.31 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 178.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -67.74 -40.72 84.11 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.092 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 67.8 tp -63.9 -42.61 97.39 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.772 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -59.3 -38.63 80.7 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.674 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 92.5 mt -108.79 29.43 7.46 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 655' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -43.41 105.18 0.41 Allowed Pre-proline 0 N--CA 1.477 0.886 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 -178.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 656' ' ' PRO . . . . . 0.511 ' O ' HD11 ' A' ' 686' ' ' LEU . 43.2 Cg_endo -87.76 -169.77 0.5 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 123.747 2.964 . . . . 0.0 112.479 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 49.2 pt -80.22 -26.22 11.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.332 0.587 . . . . 0.0 109.786 177.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -158.09 154.33 27.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.927 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 30.2 m -121.7 148.19 25.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.869 0.366 . . . . 0.0 111.093 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 83.9 mt -118.59 124.76 48.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.533 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 82.7 mt -108.97 119.92 40.99 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -118.22 152.8 34.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.334 0.588 . . . . 0.0 112.27 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -73.47 155.36 89.56 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.179 -0.918 . . . . 0.0 110.966 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 664' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -89.98 146.64 19.61 Favored 'Cis proline' 0 C--N 1.347 0.499 0 C-N-CA 123.957 -1.268 . . . . 0.0 113.25 -1.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -116.71 79.23 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.866 0.365 . . . . 0.0 110.217 178.02 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 78.8 p -98.78 -20.03 17.12 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -102.24 1.73 36.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.69 0.281 . . . . 0.0 111.687 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -148.81 145.03 12.94 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.392 -0.909 . . . . 0.0 112.533 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -96.01 120.97 37.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.502 0.191 . . . . 0.0 110.596 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 59.6 t -59.71 -45.08 94.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.87 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -62.51 -39.97 95.24 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.68 0.276 . . . . 0.0 111.221 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -63.32 -41.7 98.94 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.793 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.24 -41.64 99.12 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.981 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 71.7 t -61.75 -44.96 99.55 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.902 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -59.8 -44.72 93.84 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.867 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -69.81 -40.84 75.69 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 87.2 mt -65.55 -39.76 92.07 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -67.59 -16.54 64.23 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -87.39 -10.48 51.94 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.703 0.287 . . . . 0.0 110.83 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -104.85 -39.09 6.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.939 0.4 . . . . 0.0 110.953 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 72.2 m -127.27 148.72 50.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.606 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 48.2 p -73.8 158.33 86.18 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.438 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -54.77 -38.8 91.76 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.653 2.235 . . . . 0.0 113.513 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -77.12 -27.1 53.86 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.046 -0.261 . . . . 0.0 111.291 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -72.23 -38.3 68.99 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.888 0.375 . . . . 0.0 111.487 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 686' ' ' LEU . . . . . 0.511 HD11 ' O ' ' A' ' 656' ' ' PRO . 4.1 tt -146.79 132.28 18.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.385 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -112.65 148.5 34.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.726 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 688' ' ' ILE . . . . . . . . . . . . . 26.2 mm -102.2 123.8 55.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.536 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -125.24 140.77 52.55 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 46.0 pt -127.69 145.0 35.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.189 0.519 . . . . 0.0 111.872 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 5.6 mp -99.0 119.52 37.92 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 93.63 163.35 36.49 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.712 -0.756 . . . . 0.0 111.728 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 54.0 m -130.74 130.71 44.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 117.152 0.476 . . . . 0.0 111.508 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 31.8 mmtm -121.59 -7.02 9.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.791 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . 163.82 -166.57 37.51 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.657 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -87.02 104.51 16.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.843 0.354 . . . . 0.0 110.333 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 13.5 m-30 -106.21 131.74 53.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.759 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -91.72 148.96 21.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.645 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 91.55 -5.01 80.16 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 120.646 -0.787 . . . . 0.0 113.058 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 62.1 t -93.57 118.38 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -66.97 -43.0 84.18 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.917 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 702' ' ' ARG . . . . . 0.421 ' HD3' HE21 ' A' ' 716' ' ' GLN . 37.4 ttm180 -156.92 148.5 22.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.814 -179.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -120.23 149.46 42.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.793 0.33 . . . . 0.0 110.505 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 5.9 mm -104.01 109.73 62.86 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -60.17 142.96 99.46 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 123.013 2.475 . . . . 0.0 113.063 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 95.7 mt -106.93 150.19 39.47 Favored Pre-proline 0 C--O 1.233 0.186 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.524 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 707' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -74.81 158.1 99.15 Favored 'Cis proline' 0 C--N 1.351 0.703 0 C-N-CA 123.891 -1.295 . . . . 0.0 112.74 -0.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 708' ' ' ILE . . . . . . . . . . . . . 43.6 pt -107.4 156.94 7.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.431 0.634 . . . . 0.0 111.706 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -118.29 151.88 49.97 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -51.5 -51.37 11.34 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.204 1.936 . . . . 0.0 113.248 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 52.4 mp0 -68.11 -39.72 82.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.358 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 67.8 m -62.67 -47.58 83.05 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.454 -178.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 713' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -60.28 -49.02 79.25 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.868 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . 0.458 ' O ' HG12 ' A' ' 717' ' ' VAL . 62.7 tp -61.28 -46.42 90.42 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.117 -178.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -65.47 -41.28 93.52 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.478 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 716' ' ' GLN . . . . . 0.421 HE21 ' HD3' ' A' ' 702' ' ' ARG . 69.3 tp60 -66.88 -42.78 85.02 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.471 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 717' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 714' ' ' LEU . 6.2 p -70.87 -33.72 53.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 97.9 m -60.58 -45.4 94.09 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.611 0.244 . . . . 0.0 110.962 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 63.2 mtt -61.28 -41.08 96.34 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.301 178.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -64.56 -40.93 98.01 Favored Glycine 0 CA--C 1.52 0.383 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.69 178.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 98.1 mt -65.74 -39.24 90.9 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 70.8 p -67.35 -20.68 65.61 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.651 0.262 . . . . 0.0 111.689 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 74.3 m -64.57 -39.47 93.8 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 120.956 0.407 . . . . 0.0 110.225 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 724' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.31 -46.96 84.26 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.022 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -157.11 149.12 22.69 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.65 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 11.1 t -149.24 154.98 39.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.769 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 63.3 m -71.07 146.2 49.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.914 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -147.05 153.11 39.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.705 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.092 -0.956 . . . . 0.0 110.722 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.1 mtt . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.954 0.407 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.95 121.05 73.04 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -76.95 63.65 7.62 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.89 2.393 . . . . 0.0 112.943 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.3 mp -110.01 173.41 6.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.655 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? 65.44 31.78 10.03 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.667 0.604 . . . . 0.0 111.385 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.42 89.43 3.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.406 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 44.5 p -129.37 159.22 36.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.762 0.315 . . . . 0.0 110.895 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' B' ' 69' ' ' LEU . . . -97.28 147.8 23.78 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 178.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 62.2 t -122.71 128.24 75.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -177.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 81.3 mt -109.33 141.22 41.98 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.896 178.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -107.97 136.98 46.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.909 0.385 . . . . 0.0 111.033 179.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 62.7 tp -128.58 122.65 31.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.263 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' TYR . . . . . 0.459 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 96.4 m-85 -101.91 123.08 45.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.777 178.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 21.9 m -139.84 173.17 11.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-O 121.094 0.474 . . . . 0.0 111.597 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -123.75 126.06 45.84 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.492 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.89 70.94 2.82 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.693 -0.765 . . . . 0.0 113.083 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -145.8 -74.96 0.22 Allowed 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.505 ' O ' HG21 ' B' ' 22' ' ' VAL . 80.7 p -74.05 148.79 87.01 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.806 -0.179 . . . . 0.0 111.296 -178.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . 0.438 ' HA ' ' HB ' ' B' ' 22' ' ' VAL . 28.4 Cg_endo -62.01 -26.83 78.86 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.485 2.123 . . . . 0.0 112.155 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -62.4 -38.35 89.32 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.157 0.503 . . . . 0.0 109.84 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 61.6 m -86.5 -37.28 18.39 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.392 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.505 HG21 ' O ' ' B' ' 18' ' ' THR . 53.0 t -63.57 -49.07 84.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.905 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -73.8 -17.86 61.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.22 -0.446 . . . . 0.0 112.185 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.482 ' O ' HD12 ' B' ' 28' ' ' LEU . . . -59.22 -41.38 88.54 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 121.346 -0.142 . . . . 0.0 110.699 -179.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.401 ' O ' ' HB3' ' B' ' 29' ' ' ALA . 77.4 mt -63.24 -41.66 99.11 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 120.846 0.355 . . . . 0.0 110.716 178.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.27 -41.42 96.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.557 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 89.1 m -65.53 -46.76 78.33 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.382 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.482 HD12 ' O ' ' B' ' 24' ' ' ALA . 2.9 mp -68.67 -38.54 80.47 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.667 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' B' ' 25' ' ' LEU . . . -60.92 -42.06 97.35 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.745 -0.207 . . . . 0.0 111.146 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -62.01 -45.49 93.37 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.016 0.436 . . . . 0.0 110.846 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 91.0 mt -65.89 -45.33 91.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.632 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 61.8 tp -66.64 -41.62 87.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.043 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.576 ' OE2' ' HA ' ' A' ' 613' ' ' GLU . 88.8 tt0 -62.36 -39.43 93.11 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.62 -61.57 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.291 0.848 . . . . 0.0 113.291 -178.073 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -66.63 -39.54 88.34 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -177.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -117.5 40.6 3.02 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -177.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.51 ' HB2' ' O ' ' B' ' 33' ' ' GLU . 65.4 tttm -64.99 123.92 20.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.892 0.377 . . . . 0.0 111.111 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.58 17.34 79.91 Favored Glycine 0 C--N 1.334 0.443 0 CA-C-N 115.998 -0.546 . . . . 0.0 113.591 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 9.2 t -118.24 -48.19 3.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . 0.411 ' CD2' ' HB3' ' B' ' 8' ' ' ALA . 83.1 m-85 -125.33 142.64 51.38 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -178.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.88 146.43 30.99 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 176.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 62.6 tp -116.48 124.48 50.05 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -177.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -99.26 131.02 45.58 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 176.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 62.1 t -121.38 127.29 75.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.132 0.491 . . . . 0.0 112.216 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.4 mp -121.87 130.76 74.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.828 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -88.05 107.98 19.01 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.784 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 35.9 m -85.19 -7.3 10.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.24 -50.88 62.24 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 111.59 0.219 . . . . 0.0 111.59 -179.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -71.15 -38.32 72.22 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.519 ' OD1' ' HG2' ' B' ' 52' ' ' GLN . 61.7 t30 -129.53 90.27 44.55 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -66.25 -21.29 55.03 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.162 2.575 . . . . 0.0 114.727 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.519 ' HG2' ' OD1' ' B' ' 50' ' ' ASN . 25.3 pt20 -66.55 -21.55 66.15 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.469 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.77 -40.83 97.64 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.831 0.348 . . . . 0.0 110.413 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.24 -40.51 96.18 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.753 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -62.86 -36.42 83.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.107 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.98 -38.18 90.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.419 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -100.56 18.68 18.55 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm 56.36 45.61 22.51 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 51.0 mm -104.77 118.67 52.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.129 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 89.9 mt -104.21 -10.16 18.11 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -150.65 151.81 33.05 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 76.2 p -133.03 154.21 81.25 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.183 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . 0.459 ' HA ' ' O ' ' B' ' 13' ' ' TYR . 60.1 Cg_endo -71.31 150.8 94.29 Favored 'Cis proline' 0 C--N 1.353 0.766 0 C-N-CA 123.931 -1.279 . . . . 0.0 113.151 -0.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.06 134.74 40.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.788 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 72.5 mt -102.44 125.7 49.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.609 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -111.92 126.54 55.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.857 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.444 ' HE2' ' O ' ' B' ' 70' ' ' PRO . 87.2 tttt -91.68 122.26 34.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.127 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 22.0 t -108.72 -60.59 2.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.992 0.425 . . . . 0.0 110.298 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' B' ' 8' ' ' ALA . 82.4 mt -134.54 144.38 50.65 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.212 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . 0.444 ' O ' ' HE2' ' B' ' 67' ' ' LYS . 13.0 Cg_exo -72.9 154.63 99.49 Favored 'Cis proline' 0 C--N 1.349 0.568 0 C-N-CA 124.154 -1.186 . . . . 0.0 111.945 -2.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -73.8 165.54 31.96 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 122.63 2.22 . . . . 0.0 112.027 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -73.31 161.03 94.86 Favored 'Cis proline' 0 C--N 1.355 0.9 0 C-N-CA 124.492 -1.045 . . . . 0.0 114.103 1.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 33.8 m -83.86 151.54 3.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.449 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -157.6 163.19 38.56 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.531 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 89.2 mmt-85 -119.3 136.03 54.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.417 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 80.7 mt -115.35 122.01 68.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.799 0.333 . . . . 0.0 110.522 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 80.1 mt -117.43 124.7 73.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.231 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 177.06 -176.93 48.26 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.348 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -87.79 107.67 18.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.701 0.286 . . . . 0.0 110.274 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 93.2 mt -89.24 2.94 53.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.056 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 68.5 m -64.07 -33.13 75.05 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.095 0.474 . . . . 0.0 110.412 178.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -84.19 118.68 24.3 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.347 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.11 -35.68 75.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.009 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -58.63 -48.24 81.7 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.52 0.2 . . . . 0.0 111.503 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -63.87 -40.41 96.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.144 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 92.0 t -62.13 -47.09 94.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.494 ' O ' ' HB2' ' B' ' 91' ' ' ARG . 19.9 mt -63.8 -43.31 96.67 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 178.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 78.6 mt -61.47 -48.23 89.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.616 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.55 -41.88 68.56 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 11.9 tp -72.34 -35.97 68.71 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -178.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' B' ' 87' ' ' LEU . 9.4 tpt180 -59.03 -27.67 65.69 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.811 0.339 . . . . 0.0 111.702 -178.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 89.2 mt -60.53 -34.54 74.27 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.198 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.761 ' O ' ' HG2' ' B' ' 96' ' ' GLU . 86.0 mt -60.91 -34.87 75.33 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.723 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.592 ' O ' HG22 ' B' ' 97' ' ' ILE . . . -60.73 -37.08 80.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.875 0.369 . . . . 0.0 111.944 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -60.82 -38.99 87.33 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . 0.761 ' HG2' ' O ' ' B' ' 93' ' ' LEU . 23.5 pt-20 -63.21 -20.71 65.67 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -177.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.592 HG22 ' O ' ' B' ' 94' ' ' ALA . 7.1 tp -68.59 -23.94 28.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 111.119 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -80.15 -9.83 86.17 Favored Glycine 0 C--N 1.334 0.433 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.682 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -86.71 72.66 10.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.928 0.394 . . . . 0.0 110.549 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -135.41 128.34 31.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.651 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -136.11 131.7 35.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.154 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -86.11 107.83 18.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.542 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -153.57 157.77 40.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.246 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 30.0 t0 56.36 45.54 22.64 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.583 0.552 . . . . 0.0 111.258 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -91.12 102.34 15.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.58 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.779 179.948 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.92 0.391 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . -137.7 152.49 21.69 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.553 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -86.16 137.17 32.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.028 0.442 . . . . 0.0 111.304 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 23.7 mm -120.19 127.64 75.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.246 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 85.4 t -115.28 122.63 69.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.032 0.444 . . . . 0.0 109.873 178.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 56.6 tp -110.76 124.59 52.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.615 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 57.4 t -109.19 113.99 45.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 46.4 t -158.1 148.38 20.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.732 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 48.5 mp0 -86.11 -10.82 54.17 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.802 0.334 . . . . 0.0 110.374 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -95.16 108.0 20.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.248 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 50.6 mp0 -63.27 -37.76 88.52 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.304 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -60.86 -42.35 97.7 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 90.0 m -64.0 -44.72 91.77 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.037 0.446 . . . . 0.0 110.388 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 66.2 m -63.53 -40.85 98.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.389 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 88.5 m -63.84 -43.38 96.35 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 63.0 tp -60.78 -49.65 76.63 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.922 0.392 . . . . 0.0 110.871 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 629' ' ' ILE . . . . . 0.441 ' O ' HG23 ' A' ' 629' ' ' ILE . 73.8 mt -66.42 -33.98 67.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.714 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 28.3 t -49.68 -51.43 38.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.018 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 87.9 p -67.41 -33.19 74.67 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 120.842 0.353 . . . . 0.0 110.761 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 79.9 mt -61.59 -48.69 87.61 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.145 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 633' ' ' LEU . . . . . . . . . . . . . 25.2 mt -87.71 -38.05 16.16 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 634' ' ' THR . . . . . 0.655 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 87.9 m -62.72 -46.57 87.47 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -177.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 635' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.5 -13.57 61.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.826 0.346 . . . . 0.0 111.508 -179.078 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -83.13 0.02 47.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.139 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 100.56 -1.54 55.74 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.609 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 638' ' ' TYR . . . . . 0.655 ' O ' ' HA ' ' A' ' 634' ' ' THR . 94.8 m-85 -99.73 153.6 18.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.861 0.362 . . . . 0.0 110.681 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -92.78 142.29 27.5 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 94.9 t -124.76 123.99 67.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 641' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' B' ' 42' ' ' LEU . 85.4 mt -126.25 125.83 68.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.26 177.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 642' ' ' TRP . . . . . . . . . . . . . 46.8 t90 -98.98 115.59 29.26 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.97 0.414 . . . . 0.0 110.453 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.95 136.95 45.93 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 644' ' ' VAL . . . . . 0.443 HG11 ' O ' ' B' ' 44' ' ' VAL . 6.2 m -75.89 152.1 6.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.997 0.427 . . . . 0.0 109.997 178.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -64.03 140.12 58.84 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -177.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 104.0 -5.58 46.45 Favored Glycine 0 C--N 1.341 0.809 0 N-CA-C 115.654 1.021 . . . . 0.0 115.654 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -114.5 88.85 2.95 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 118.624 1.212 . . . . 0.0 112.701 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 77.1 t -70.92 -42.86 77.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.19 -38.01 81.98 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.021 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -63.35 -36.47 83.81 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 177.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.98 -41.1 97.64 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 99.7 mt -68.34 -38.2 81.25 Favored 'General case' 0 C--O 1.228 -0.067 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.514 178.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -58.65 -38.25 77.71 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.044 179.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 86.8 mt -108.34 29.4 7.39 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.365 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 655' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -29.8 102.73 0.18 Allowed Pre-proline 0 N--CA 1.479 0.976 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -178.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 656' ' ' PRO . . . . . 0.48 ' O ' HD12 ' A' ' 686' ' ' LEU . 45.2 Cg_endo -86.59 173.84 6.11 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 123.551 2.834 . . . . 0.0 112.551 179.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 46.0 pt -79.48 -21.26 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.54 0.686 . . . . 0.0 109.325 177.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -153.55 146.68 24.63 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.362 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 64.3 t -114.91 127.05 72.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.359 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 70.8 mt -105.96 118.23 36.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.311 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 85.3 mt -112.77 129.09 56.55 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -111.13 132.09 54.57 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -91.14 154.78 44.96 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.092 178.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 664' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -81.99 170.39 59.71 Favored 'Cis proline' 0 C--N 1.351 0.682 0 C-N-CA 124.49 -1.046 . . . . 0.0 113.14 -0.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -101.09 132.88 46.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.781 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 81.6 p -71.78 -38.98 70.22 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -140.75 -64.88 0.45 Allowed 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -68.34 137.21 30.86 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.324 -179.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 669' ' ' ASP . . . . . 0.46 ' OD2' ' HB2' ' A' ' 671' ' ' GLN . 38.5 t70 -74.27 132.95 42.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.571 0.224 . . . . 0.0 111.296 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 670' ' ' VAL . . . . . 0.434 ' O ' HG22 ' A' ' 674' ' ' VAL . 62.2 t -60.43 -44.41 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.059 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 671' ' ' GLN . . . . . 0.46 ' HB2' ' OD2' ' A' ' 669' ' ' ASP . 97.5 mt-30 -62.85 -38.04 89.21 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.954 0.407 . . . . 0.0 110.211 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.48 -44.12 96.26 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.283 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.98 -40.81 97.24 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.348 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 670' ' ' VAL . 75.6 t -61.79 -46.63 96.11 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.454 179.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -61.07 -43.69 98.5 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.193 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.67 -44.96 84.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.724 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.6 -39.9 95.55 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -62.16 -39.01 91.18 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.896 0.379 . . . . 0.0 111.302 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -65.15 -36.41 84.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.913 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 13.5 mmp_? -86.92 -40.67 14.61 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -178.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 77.0 m -125.13 135.12 52.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.7 0.286 . . . . 0.0 111.407 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 81.0 p -72.04 151.1 92.69 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.836 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.81 -24.96 74.54 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.711 2.274 . . . . 0.0 113.605 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -73.34 -25.48 60.63 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 121.054 -0.258 . . . . 0.0 111.07 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -98.28 -35.54 10.3 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.842 0.353 . . . . 0.0 111.013 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 686' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 656' ' ' PRO . 1.8 tt -134.25 130.23 36.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.133 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -106.94 148.48 28.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.174 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 688' ' ' ILE . . . . . . . . . . . . . 72.6 mt -112.68 125.53 69.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.517 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -120.79 140.19 52.06 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 91.7 mt -119.18 128.02 75.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.19 0.519 . . . . 0.0 111.163 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 691' ' ' LEU . . . . . 0.476 ' HG ' ' HB ' ' A' ' 704' ' ' ILE . 5.9 mp -90.38 117.19 28.91 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 130.58 -89.27 0.29 Allowed Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.301 -0.952 . . . . 0.0 112.938 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 88.8 p -137.89 162.04 35.05 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 120.861 0.362 . . . . 0.0 111.607 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . 0.454 ' HB2' ' HB3' ' A' ' 703' ' ' TYR . 87.1 tttt -138.02 134.36 34.7 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.134 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . 161.19 172.68 28.85 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.599 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 70.2 -44.9 0.58 Allowed 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -122.68 128.93 51.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.119 0.485 . . . . 0.0 111.854 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 -87.26 159.35 18.84 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.892 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 120.3 6.07 10.03 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.41 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 700' ' ' VAL . . . . . 0.408 ' HB ' ' HE3' ' A' ' 694' ' ' LYS . 58.0 t -107.37 125.08 63.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -65.02 -45.8 83.98 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -178.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -163.63 155.96 17.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.678 0.275 . . . . 0.0 111.153 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 703' ' ' TYR . . . . . 0.454 ' HB3' ' HB2' ' A' ' 694' ' ' LYS . 36.2 p90 -116.98 150.2 38.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.631 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 704' ' ' ILE . . . . . 0.476 ' HB ' ' HG ' ' A' ' 691' ' ' LEU . 26.7 mm -104.03 110.97 64.95 Favored Pre-proline 0 C--N 1.328 -0.347 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -61.2 147.23 96.2 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.183 2.589 . . . . 0.0 112.916 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . 0.558 ' HA ' ' C ' ' A' ' 707' ' ' PRO . 95.9 mt -115.18 152.5 46.81 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.209 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 707' ' ' PRO . . . . . 0.558 ' C ' ' HA ' ' A' ' 706' ' ' LEU . 36.1 Cg_exo -60.67 147.29 45.46 Favored 'Cis proline' 0 C--N 1.354 0.819 0 C-N-CA 124.362 -1.099 . . . . 0.0 113.218 0.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 708' ' ' ILE . . . . . 0.407 HD12 HG22 ' A' ' 708' ' ' ILE . 13.4 tt -77.94 131.91 33.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.879 -179.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -115.17 142.61 28.85 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -54.33 -55.68 3.17 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.889 2.393 . . . . 0.0 114.055 -178.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 49.9 mp0 -63.58 -39.58 94.76 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.028 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 70.0 m -63.91 -47.29 81.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.371 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 713' ' ' PHE . . . . . 0.471 ' O ' HG22 ' A' ' 717' ' ' VAL . 86.5 t80 -60.49 -50.23 74.4 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.364 179.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 61.5 tp -62.79 -43.13 99.61 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -62.11 -44.37 96.8 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 111.606 0.224 . . . . 0.0 111.606 -179.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -66.86 -40.58 87.91 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.569 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 717' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 713' ' ' PHE . 56.6 t -64.39 -45.18 96.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-O 120.642 0.258 . . . . 0.0 110.929 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 89.4 m -60.65 -47.38 86.51 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.244 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 96.3 mmm -64.3 -39.6 94.24 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.808 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -62.83 -39.88 98.54 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.271 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 98.3 mt -76.98 -10.27 59.26 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 95.6 m -62.12 -42.43 99.23 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 120.819 0.343 . . . . 0.0 110.326 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 74.1 m -62.06 -37.83 86.46 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.74 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 724' ' ' LEU . . . . . 0.447 ' O ' ' HB3' ' A' ' 725' ' ' ALA . 0.5 OUTLIER -63.56 -21.8 66.54 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.208 179.474 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 725' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 724' ' ' LEU . . . 74.7 61.05 0.07 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.505 0.722 . . . . 0.0 111.576 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 12.3 t -142.14 154.63 45.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.916 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 47.9 t -146.17 145.88 30.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.617 0.246 . . . . 0.0 110.901 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.3 95.89 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.501 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.32 -0.848 . . . . 0.0 110.646 -179.946 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 121.056 0.455 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.06 117.72 67.84 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -78.34 61.08 7.73 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.835 2.357 . . . . 0.0 113.085 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mp -88.37 83.52 6.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.017 0.437 . . . . 0.0 110.716 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.441 ' HB3' ' H ' ' B' ' 6' ' ' LYS . 10.4 mpt_? -126.33 -158.61 0.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.966 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.441 ' H ' ' HB3' ' B' ' 5' ' ' ARG . 2.0 mppt? 73.44 73.77 0.13 Allowed 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.749 0.656 . . . . 0.0 112.513 178.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 63.9 p -124.52 156.91 36.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.567 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.61 139.06 34.07 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 62.8 t -116.92 121.15 67.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.24 0.543 . . . . 0.0 111.813 -178.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 mp -103.59 124.72 49.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.685 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -102.14 138.9 38.47 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.0 0.429 . . . . 0.0 110.74 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 tt -124.67 113.63 18.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.427 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' TYR . . . . . 0.544 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 57.8 m-85 -98.77 133.15 43.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.702 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 16.0 m -133.39 164.65 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.671 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.19 90.41 3.14 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.117 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.12 163.63 39.27 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.716 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -86.99 76.55 9.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.061 0.458 . . . . 0.0 110.4 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 43.4 p -106.21 149.79 38.61 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.327 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -54.76 -38.51 91.72 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.771 2.314 . . . . 0.0 112.939 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -61.52 -42.29 98.59 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.075 0.464 . . . . 0.0 110.414 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 67.1 m -70.71 -39.86 73.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.915 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 63.9 t -65.08 -45.15 95.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.667 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -66.51 -30.51 70.85 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.349 -0.387 . . . . 0.0 112.028 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.64 -39.77 85.44 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.891 0.377 . . . . 0.0 111.024 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.84 -40.27 96.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.011 0.434 . . . . 0.0 110.847 178.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.44 -41.15 98.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.174 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 74.5 p -69.91 -37.63 76.02 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.223 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -67.29 -43.15 82.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.943 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.33 -42.83 99.71 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.276 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -62.82 -41.93 99.52 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 90.7 mt -68.21 -42.2 84.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.155 0.502 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.426 HD12 ' O ' ' B' ' 36' ' ' PHE . 0.4 OUTLIER -70.19 -42.85 71.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.717 -178.478 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -69.61 -20.22 63.63 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.98 -43.32 7.5 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 -178.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -95.68 -48.85 5.61 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 -177.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . 0.426 ' O ' HD12 ' B' ' 32' ' ' LEU . 11.6 m-85 -131.79 65.28 1.57 Allowed 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -177.021 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -81.44 147.27 29.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.694 0.283 . . . . 0.0 110.921 178.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.33 1.15 88.25 Favored Glycine 0 CA--C 1.523 0.539 0 C-N-CA 120.998 -0.62 . . . . 0.0 114.644 178.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 6.5 m -124.97 -22.61 2.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 117.815 0.807 . . . . 0.0 112.111 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -120.32 134.38 55.27 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.953 0.406 . . . . 0.0 112.0 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.36 152.87 33.05 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 177.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.43 ' O ' ' HA ' ' A' ' 641' ' ' ILE . 0.4 OUTLIER -121.08 145.37 47.86 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -178.055 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -126.2 136.8 53.27 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.734 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . 0.443 ' O ' HG11 ' A' ' 644' ' ' VAL . 60.8 t -116.64 123.03 71.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-O 120.701 0.286 . . . . 0.0 111.247 -179.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.3 mp -124.54 132.83 70.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.776 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -98.49 111.81 24.04 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 32.4 m -64.67 -28.47 44.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -177.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 90.7 mt -66.48 -40.65 89.45 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -71.1 -38.84 72.38 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.687 ' OD1' ' HG2' ' B' ' 52' ' ' GLN . 26.3 t-20 -140.37 88.89 10.99 Favored Pre-proline 0 C--N 1.329 -0.29 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -64.55 -24.15 63.56 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.183 2.589 . . . . 0.0 114.626 -178.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.687 ' HG2' ' OD1' ' B' ' 50' ' ' ASN . 12.5 pt20 -68.94 -25.36 64.52 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.24 -179.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.05 -41.15 95.41 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.894 0.378 . . . . 0.0 110.395 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.39 -39.66 89.18 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.618 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.56 -37.01 85.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.281 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' B' ' 52' ' ' GLN . 97.1 mt-10 -64.28 -38.46 91.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.609 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -100.1 10.21 41.62 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.505 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt 56.27 47.28 19.55 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.281 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 46.0 mm -89.56 118.6 35.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.479 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -115.37 -1.13 12.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.87 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.415 ' O ' HG22 ' B' ' 62' ' ' THR . . . -147.82 148.66 31.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.616 0.246 . . . . 0.0 111.239 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' THR . . . . . 0.415 HG22 ' O ' ' B' ' 61' ' ' ALA . 75.0 p -145.37 149.19 40.24 Favored Pre-proline 0 CA--C 1.53 0.201 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.586 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . 0.544 ' HA ' ' O ' ' B' ' 13' ' ' TYR . 2.7 Cg_exo -80.14 136.06 36.2 Favored 'Cis proline' 0 C--N 1.351 0.659 0 C-N-CA 124.143 -1.19 . . . . 0.0 112.125 -1.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 24.9 p -132.6 154.19 50.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.017 0.436 . . . . 0.0 111.814 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 81.3 mt -100.46 126.16 46.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.352 178.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.53 131.31 56.98 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.738 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.594 ' O ' ' HA ' ' B' ' 73' ' ' VAL . 37.7 ttpt -101.69 117.84 35.71 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 1.9 m -104.23 -38.83 5.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.789 0.328 . . . . 0.0 110.629 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 85.4 mt -137.88 131.33 16.84 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.101 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -72.68 149.74 94.25 Favored 'Cis proline' 0 C--N 1.348 0.518 0 C-N-CA 124.228 -1.155 . . . . 0.0 112.509 -1.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -73.78 166.65 29.19 Favored 'Trans proline' 0 CA--C 1.533 0.475 0 C-N-CA 123.08 2.52 . . . . 0.0 111.824 178.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.05 165.61 84.65 Favored 'Cis proline' 0 C--N 1.355 0.874 0 C-N-CA 124.654 -0.977 . . . . 0.0 114.155 1.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . 0.594 ' HA ' ' O ' ' B' ' 67' ' ' LYS . 92.7 t -71.23 126.19 31.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -129.51 153.86 47.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.423 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 95.8 mtm-85 -123.69 141.77 51.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 111.303 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 82.8 mt -117.47 123.99 72.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.963 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 81.9 mt -116.14 124.53 72.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.319 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 175.11 -170.92 44.11 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.843 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -87.05 98.46 11.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.831 0.348 . . . . 0.0 110.192 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 98.1 mt -70.34 -27.06 64.05 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.579 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 74.1 m -63.28 -31.0 72.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.212 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -81.68 107.75 14.67 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . 0.42 ' HA ' ' CG1' ' B' ' 86' ' ' VAL . 61.0 ttp180 -59.84 -37.43 79.23 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.974 -178.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -58.98 -47.43 85.2 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.583 0.23 . . . . 0.0 111.581 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt -71.99 -45.3 61.47 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.42 ' CG1' ' HA ' ' B' ' 83' ' ' ARG . 12.5 p -65.04 -30.34 50.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.66 -179.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 66.9 tp -61.62 -46.02 91.59 Favored 'General case' 0 C--N 1.334 -0.075 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 177.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 90.8 mt -62.73 -47.46 92.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.357 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.16 98.87 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 13.6 tp -72.16 -32.55 66.98 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.717 0.294 . . . . 0.0 111.091 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 18.3 tpp85 -60.48 -39.55 88.07 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.556 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 88.7 mt -61.97 -40.03 94.18 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.93 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.0 -40.96 97.54 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.761 0.315 . . . . 0.0 110.736 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.544 ' O ' HG23 ' B' ' 97' ' ' ILE . . . -63.18 -40.56 97.89 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.234 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.26 -40.69 98.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.719 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -64.0 -40.69 96.92 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.233 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.544 HG23 ' O ' ' B' ' 94' ' ' ALA . 14.0 tt -70.3 -28.13 34.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-O 120.713 0.292 . . . . 0.0 111.415 -179.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -85.04 -5.32 86.09 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.647 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 29.8 t0 55.56 45.31 25.17 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 122.787 0.435 . . . . 0.0 111.357 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -72.32 130.4 40.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -123.84 145.96 48.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.418 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -155.84 149.31 24.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.464 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -101.79 107.06 18.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.636 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -155.8 155.41 32.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.386 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -157.9 159.86 37.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.167 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 63.2 pttt . . . . . 0 C--O 1.251 1.156 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.929 179.969 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.974 0.416 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . 144.41 119.83 1.36 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.713 -0.756 . . . . 0.0 113.012 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -81.67 128.16 33.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.62 0.248 . . . . 0.0 110.952 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . 0.511 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 50.4 mm -123.59 125.38 71.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.408 179.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 98.6 t -116.59 123.88 72.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.007 0.432 . . . . 0.0 110.279 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 63.5 tp -108.24 122.6 47.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.276 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 61.8 t -112.94 106.35 20.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.994 0.426 . . . . 0.0 110.143 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 46.9 t -162.25 145.59 11.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.946 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -90.84 0.24 57.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.749 0.309 . . . . 0.0 111.179 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -89.19 103.75 16.35 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.83 -36.72 77.39 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.452 -0.795 . . . . 0.0 112.892 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -59.39 -41.33 89.16 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -178.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.53 -38.17 49.29 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 121.177 -0.209 . . . . 0.0 111.353 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 66.1 m -61.65 -45.51 93.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.681 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 85.2 m -64.93 -45.95 83.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.971 0.415 . . . . 0.0 111.027 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.413 ' O ' HG13 ' A' ' 632' ' ' ILE . 63.0 tp -66.42 -50.61 62.82 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.323 -179.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 629' ' ' ILE . . . . . . . . . . . . . 64.5 mt -65.97 -39.25 84.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 71.8 m -60.02 -40.91 90.94 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 631' ' ' SER . . . . . 0.427 ' HB3' ' CB ' ' B' ' 5' ' ' ARG . 64.9 m -65.62 -41.16 93.03 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.856 177.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 632' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 628' ' ' LEU . 74.4 mt -61.19 -48.31 89.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 633' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -81.65 -37.73 27.04 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 634' ' ' THR . . . . . 0.651 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 93.6 m -64.14 -42.26 96.86 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -178.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 635' ' ' THR . . . . . . . . . . . . . 20.4 m -60.97 -36.43 79.39 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.936 0.398 . . . . 0.0 111.398 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -69.09 -5.69 23.71 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 107.71 6.61 32.66 Favored Glycine 0 C--N 1.334 0.425 0 C-N-CA 120.519 -0.848 . . . . 0.0 113.806 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 638' ' ' TYR . . . . . 0.651 ' O ' ' HA ' ' A' ' 634' ' ' THR . 89.4 m-85 -99.45 150.6 22.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.916 0.358 . . . . 0.0 110.48 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -99.2 108.21 20.74 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 640' ' ' VAL . . . . . 0.511 ' HA ' ' O ' ' A' ' 616' ' ' ILE . 58.7 t -105.68 128.79 59.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -177.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 641' ' ' ILE . . . . . 0.443 HD13 HG22 ' A' ' 641' ' ' ILE . 83.9 mt -120.15 126.57 75.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 114.937 -1.029 . . . . 0.0 108.921 177.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 642' ' ' TRP . . . . . . . . . . . . . 70.0 t90 -91.99 116.0 28.55 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.87 133.12 56.23 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.763 -178.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 27.6 m -74.88 145.84 10.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -71.21 164.09 26.35 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -177.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 102.83 -18.96 48.6 Favored Glycine 0 CA--C 1.523 0.571 0 CA-C-N 114.637 -1.165 . . . . 0.0 114.25 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -116.69 94.69 4.71 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 117.945 0.873 . . . . 0.0 112.666 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 71.2 t -70.11 -40.55 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.861 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.98 -38.64 79.62 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.78 0.324 . . . . 0.0 110.421 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -64.42 -37.85 88.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.578 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 87.0 mt -63.81 -39.78 95.05 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.911 178.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -64.43 -35.3 80.48 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.365 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -58.33 -37.84 75.94 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.785 178.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 84.1 mt -108.27 29.11 7.65 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.521 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 655' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -31.11 101.99 0.18 Allowed Pre-proline 0 N--CA 1.477 0.912 0 N-CA-C 113.688 0.995 . . . . 0.0 113.688 -178.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -87.74 174.76 4.69 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.723 2.949 . . . . 0.0 112.995 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 47.2 pt -84.35 -19.69 9.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.494 0.664 . . . . 0.0 109.226 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -153.45 147.94 26.08 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.212 -0.903 . . . . 0.0 110.435 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 74.0 t -118.04 127.26 75.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.454 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 76.4 mt -103.08 116.53 32.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.975 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 88.2 mt -109.31 126.3 53.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.377 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -140.91 144.92 35.49 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.839 0.352 . . . . 0.0 111.192 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . 0.407 ' OE1' ' HA ' ' A' ' 664' ' ' PRO . 72.8 mm-40 -72.69 156.56 89.93 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.952 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 664' ' ' PRO . . . . . 0.407 ' HA ' ' OE1' ' A' ' 663' ' ' GLU . 47.0 Cg_endo -90.01 164.28 34.46 Favored 'Cis proline' 0 C--N 1.35 0.627 0 C-N-CA 124.332 -1.112 . . . . 0.0 113.778 -1.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -115.33 120.61 40.19 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.228 178.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 78.4 p -70.78 -38.52 73.41 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -146.86 130.96 17.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.082 0.467 . . . . 0.0 111.523 -179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 99.59 154.4 28.07 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.738 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -95.91 146.29 24.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.639 0.257 . . . . 0.0 110.765 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 75.8 t -60.92 -43.22 95.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.488 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -62.92 -39.15 93.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.829 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -62.98 -43.11 99.68 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.909 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.99 -41.4 99.56 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.988 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 76.8 t -61.7 -47.14 94.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.394 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -61.98 -44.41 96.79 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.783 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -63.45 -42.3 98.63 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.747 0.308 . . . . 0.0 111.487 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 86.7 mt -66.05 -38.86 89.43 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.427 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 37.7 mtp-105 -63.03 -37.64 88.0 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.976 0.417 . . . . 0.0 111.036 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -64.08 -36.42 83.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.575 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -87.66 -41.27 13.5 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 76.3 m -126.42 135.86 51.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.728 0.299 . . . . 0.0 111.281 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 60.7 p -74.11 156.91 87.43 Favored Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -55.74 -36.09 94.47 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 123.053 2.502 . . . . 0.0 113.662 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -70.58 -21.4 62.69 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.739 0.304 . . . . 0.0 111.316 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -94.74 -35.68 12.03 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.16 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 686' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.38 134.42 24.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.43 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -112.25 148.86 33.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.175 0.512 . . . . 0.0 111.761 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 688' ' ' ILE . . . . . . . . . . . . . 47.8 mm -107.8 125.43 64.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.08 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -119.36 139.27 52.26 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 178.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 85.9 mt -119.55 129.55 75.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.858 0.361 . . . . 0.0 111.27 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 4.7 mp -94.14 128.47 40.58 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 112.59 -103.31 1.43 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.489 -0.862 . . . . 0.0 112.365 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 88.0 p -138.24 161.08 37.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.557 0.218 . . . . 0.0 110.645 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . 0.407 ' NZ ' ' HA ' ' A' ' 696' ' ' ASN . 5.6 ptmm? -144.58 160.92 40.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.825 0.345 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . -100.05 29.31 12.42 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 121.128 -0.558 . . . . 0.0 112.588 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 696' ' ' ASN . . . . . 0.407 ' HA ' ' NZ ' ' A' ' 694' ' ' LYS . 54.2 t30 59.53 45.1 13.85 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.302 0.572 . . . . 0.0 111.134 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -82.3 148.41 28.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.943 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 23.1 mp0 -72.3 151.32 42.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.825 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 95.16 -7.86 69.59 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.952 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 61.7 t -98.57 114.56 36.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -69.18 -43.31 74.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.141 -0.482 . . . . 0.0 112.182 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -160.6 155.75 24.6 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.246 -178.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -119.47 148.97 42.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.873 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 704' ' ' ILE . . . . . 0.43 HG22 HD12 ' A' ' 704' ' ' ILE . 4.6 mm -107.51 107.74 60.76 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -179.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -70.26 148.78 62.55 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.449 2.1 . . . . 0.0 112.91 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 85.2 mt -102.39 149.13 36.38 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 707' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -73.98 156.21 99.73 Favored 'Cis proline' 0 C--N 1.352 0.716 0 C-N-CA 123.74 -1.358 . . . . 0.0 112.668 -0.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 708' ' ' ILE . . . . . . . . . . . . . 44.2 pt -107.17 154.77 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.239 0.543 . . . . 0.0 111.61 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -116.05 149.2 42.98 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -52.25 -50.59 13.5 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.486 2.124 . . . . 0.0 113.445 -178.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 50.0 mp0 -68.26 -40.31 81.95 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.222 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 68.9 m -62.08 -47.54 84.19 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.412 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 713' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -60.84 -49.27 78.14 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.689 179.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 68.1 tp -61.98 -46.99 86.82 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -179.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -64.98 -41.85 95.06 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -65.57 -43.03 91.04 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.554 0.216 . . . . 0.0 111.263 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 717' ' ' VAL . . . . . . . . . . . . . 65.6 t -66.41 -44.61 90.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-O 120.76 0.314 . . . . 0.0 110.812 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 718' ' ' THR . . . . . 0.54 ' O ' HG23 ' A' ' 722' ' ' THR . 91.1 m -61.94 -46.58 88.67 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.117 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 60.6 ttm -61.18 -42.99 99.55 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.23 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -61.65 -37.12 93.7 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 121.202 -0.523 . . . . 0.0 113.164 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 90.3 mt -86.2 -1.01 57.05 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -178.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 722' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 718' ' ' THR . 64.1 p -63.64 -37.91 89.12 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.331 0.514 . . . . 0.0 111.811 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 80.5 p -70.87 -36.05 72.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.878 0.371 . . . . 0.0 110.874 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 724' ' ' LEU . . . . . . . . . . . . . 2.7 tt -64.08 -46.92 82.18 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.352 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -159.2 156.64 29.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.883 0.373 . . . . 0.0 111.19 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 76.8 p -125.82 155.79 40.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.601 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 39.3 t -153.65 148.5 26.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.328 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -101.03 134.05 44.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.571 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.636 -179.785 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.1 mtt . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 121.042 0.449 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.1 109.39 58.92 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.947 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -59.68 141.0 96.27 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.863 2.375 . . . . 0.0 112.463 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 62.9 tp -117.02 126.79 53.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.666 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.427 ' CB ' ' HB3' ' A' ' 631' ' ' SER . 0.0 OUTLIER -132.51 -100.15 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.35 179.88 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt 59.49 41.46 19.17 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.405 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 33.5 p -101.43 158.68 15.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.772 0.32 . . . . 0.0 111.266 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.28 149.82 24.99 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 178.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 15.6 m -127.23 140.48 48.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.232 0.539 . . . . 0.0 112.375 -178.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 69.5 mt -113.98 140.66 48.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.58 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.41 ' HZ3' ' NZ ' ' B' ' 43' ' ' LYS . 55.1 mttp -104.1 126.79 51.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.141 0.496 . . . . 0.0 111.365 179.135 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.95 110.59 20.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.005 178.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' TYR . . . . . 0.44 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 86.7 m-85 -97.26 123.74 41.15 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.252 179.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.424 ' HA ' ' OG1' ' B' ' 62' ' ' THR . 27.8 m -135.86 170.2 19.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.054 -179.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.491 ' CB ' ' HB2' ' B' ' 48' ' ' LEU . . . -148.39 138.94 22.78 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.814 0.34 . . . . 0.0 111.266 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.63 175.45 50.29 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.074 -0.584 . . . . 0.0 113.752 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -110.65 21.62 16.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.494 -0.353 . . . . 0.0 110.484 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 66.8 p -70.57 155.54 93.26 Favored Pre-proline 0 C--O 1.235 0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.571 -178.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -55.47 -36.6 94.49 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.096 2.531 . . . . 0.0 113.103 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.09 -45.34 93.27 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.667 0.27 . . . . 0.0 110.74 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 74.1 m -70.12 -40.87 74.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.785 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.532 ' O ' ' HG3' ' B' ' 26' ' ' LYS . 62.1 t -64.36 -47.61 88.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.031 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 47.3 mtm105 -64.87 -35.59 81.62 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 -178.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.409 ' O ' HD12 ' B' ' 28' ' ' LEU . . . -59.61 -40.84 88.83 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.524 0.202 . . . . 0.0 111.12 -179.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.37 -41.18 98.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.95 0.405 . . . . 0.0 110.752 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.532 ' HG3' ' O ' ' B' ' 22' ' ' VAL . 27.7 mtpt -69.37 -38.0 77.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.504 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 94.4 m -61.88 -47.35 85.39 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.912 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.502 ' O ' HD12 ' B' ' 32' ' ' LEU . 2.3 mp -67.44 -41.19 85.18 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.987 179.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.0 -41.89 97.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.268 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -61.79 -44.41 96.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.891 0.376 . . . . 0.0 111.024 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 94.8 mt -65.49 -43.98 94.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.389 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.502 HD12 ' O ' ' B' ' 28' ' ' LEU . 4.3 mp -69.16 -42.16 76.29 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.165 -178.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -71.38 -15.71 62.38 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -178.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -96.99 -62.76 1.21 Allowed 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -178.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -96.69 -21.51 17.55 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -177.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -116.38 26.41 9.92 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.566 -0.454 . . . . 0.0 112.093 -177.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -70.96 132.41 45.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.075 0.464 . . . . 0.0 111.933 -178.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.75 -10.44 74.77 Favored Glycine 0 CA--C 1.519 0.308 0 CA-C-N 115.83 -0.623 . . . . 0.0 114.056 178.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.7 m -121.09 -27.13 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 117.614 0.707 . . . . 0.0 112.801 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . 0.413 ' OH ' ' HA ' ' B' ' 94' ' ' ALA . 64.1 m-85 -122.79 134.57 54.42 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.33 151.66 30.92 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 63.5 tp -113.71 131.14 56.29 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -177.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.41 ' NZ ' ' HZ3' ' B' ' 11' ' ' LYS . 57.8 mtmt -118.07 128.92 55.22 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 60.0 t -120.19 129.22 75.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -177.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.1 mp -121.88 132.99 69.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -91.46 107.07 18.95 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 33.9 m -73.93 -24.43 19.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -178.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.491 ' HB2' ' CB ' ' B' ' 15' ' ' ALA . 60.9 tp -64.91 -44.42 89.64 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.93 -39.3 69.56 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.538 ' OD1' ' HB3' ' B' ' 52' ' ' GLN . 19.4 t-20 -130.11 94.51 30.56 Favored Pre-proline 0 C--N 1.329 -0.315 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.64 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -64.4 -22.17 66.09 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.783 2.322 . . . . 0.0 112.481 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.538 ' HB3' ' OD1' ' B' ' 50' ' ' ASN . 56.0 tt0 -60.91 -42.18 97.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.225 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . 0.533 ' HG ' ' OD1' ' B' ' 50' ' ' ASN . 96.4 mt -62.48 -41.07 98.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.974 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.8 -40.36 95.09 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.701 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.35 -36.45 84.17 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.279 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.44 -38.89 92.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.602 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -100.56 9.42 42.55 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 121.184 -0.206 . . . . 0.0 111.486 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 49.2 mmtm 56.38 48.71 16.46 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 47.1 mm -92.1 112.41 25.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.249 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 88.4 mt -109.22 4.63 23.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.921 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -146.52 154.55 41.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.836 0.35 . . . . 0.0 111.271 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' THR . . . . . 0.424 ' OG1' ' HA ' ' B' ' 14' ' ' VAL . 2.0 t -154.31 139.73 12.14 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . 0.44 ' HA ' ' O ' ' B' ' 13' ' ' TYR . 71.6 Cg_endo -75.99 147.83 88.62 Favored 'Cis proline' 0 C--N 1.35 0.624 0 C-N-CA 123.586 -1.423 . . . . 0.0 112.968 -0.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 1.9 p -134.03 145.42 49.43 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.013 0.435 . . . . 0.0 111.975 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 tt -101.57 117.44 34.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.183 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -109.95 127.6 54.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.972 0.415 . . . . 0.0 110.934 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.57 ' HE2' ' O ' ' B' ' 70' ' ' PRO . 0.0 OUTLIER -92.25 122.83 35.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.046 179.601 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 23.4 t -100.38 -55.95 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 0.0 111.132 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 79.4 mt -130.03 145.62 58.0 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.551 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . 0.57 ' O ' ' HE2' ' B' ' 67' ' ' LYS . 92.0 Cg_endo -77.49 153.75 94.86 Favored 'Cis proline' 0 C--N 1.349 0.605 0 C-N-CA 123.761 -1.35 . . . . 0.0 112.067 -1.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -72.29 164.44 35.62 Favored 'Trans proline' 0 CA--C 1.533 0.456 0 C-N-CA 122.273 1.982 . . . . 0.0 112.464 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -71.84 156.7 97.47 Favored 'Cis proline' 0 C--N 1.355 0.884 0 C-N-CA 124.296 -1.127 . . . . 0.0 113.925 1.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 21.0 m -73.93 138.6 20.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.73 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -139.49 161.89 36.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.257 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 35.1 ptt-85 -126.83 146.66 50.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.941 0.4 . . . . 0.0 110.754 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 82.9 mt -120.28 126.45 75.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.49 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 43.8 pt -118.86 142.58 33.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.539 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.81 -157.92 28.89 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.668 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -87.32 97.25 10.69 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.1 mp -80.28 -10.46 59.76 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 77.4 p -73.19 -16.12 61.43 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.041 0.448 . . . . 0.0 110.49 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -95.06 116.23 28.44 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.77 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -60.02 -35.92 76.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.849 -179.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -59.24 -46.77 87.59 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -40.1 83.99 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.427 -179.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 81.5 t -65.0 -46.22 92.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.543 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 66.1 tp -62.91 -46.87 85.8 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.23 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 81.0 mt -61.98 -47.99 90.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.817 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.4 -42.54 92.48 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 49.6 tp -68.24 -37.16 80.49 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.327 -179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -57.75 -37.99 74.57 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.0 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.65 -39.24 90.64 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 120.931 0.396 . . . . 0.0 110.348 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 99.2 mt -65.01 -37.01 86.24 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.81 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.572 ' O ' HG22 ' B' ' 97' ' ' ILE . . . -60.36 -36.13 77.31 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.676 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.16 -37.7 77.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.002 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -61.72 -42.32 98.8 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.572 HG22 ' O ' ' B' ' 94' ' ' ALA . 11.0 tp -75.74 -29.9 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-O 120.806 0.336 . . . . 0.0 110.994 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.26 -21.61 77.28 Favored Glycine 0 C--N 1.333 0.413 0 C-N-CA 121.119 -0.563 . . . . 0.0 112.836 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -84.61 75.0 10.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.973 0.416 . . . . 0.0 110.646 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -128.38 129.31 46.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.413 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -117.98 145.9 44.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.585 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -156.56 158.88 37.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.17 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -154.85 158.77 39.88 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -156.65 157.85 35.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.253 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -63.14 -42.82 99.55 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.127 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 68.9 mttm . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.32 -0.848 . . . . 0.0 110.638 179.87 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 121.135 0.493 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . -170.03 171.81 43.59 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.688 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . 0.442 ' O ' HG12 ' A' ' 657' ' ' ILE . 93.1 mtm-85 -91.75 136.63 33.0 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.863 0.363 . . . . 0.0 111.265 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . 0.577 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 90.7 mt -130.08 130.12 65.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.811 178.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 92.0 t -114.23 127.28 71.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.012 0.434 . . . . 0.0 111.189 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 57.2 tp -108.98 124.38 50.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.132 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 58.4 t -113.98 113.7 44.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.061 0.458 . . . . 0.0 110.198 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 88.4 p -163.01 162.68 26.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.435 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -100.53 -1.94 34.29 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.404 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -94.4 106.81 18.8 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 50.6 mp0 -62.45 -38.61 90.44 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.429 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -61.03 -42.72 99.0 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.765 0.317 . . . . 0.0 111.211 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 88.6 m -65.83 -44.88 84.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.739 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 88.6 p -64.16 -38.08 89.77 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.016 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 91.0 m -62.94 -45.86 90.49 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.995 0.426 . . . . 0.0 110.502 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 64.9 tp -65.52 -46.39 79.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.472 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 629' ' ' ILE . . . . . . . . . . . . . 36.9 mm -63.01 -46.15 97.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 25.8 p -65.71 -36.13 82.73 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.455 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 70.3 m -65.2 -43.18 92.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.74 0.305 . . . . 0.0 110.943 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.93 -50.26 78.17 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 633' ' ' LEU . . . . . . . . . . . . . 85.8 mt -71.84 -39.88 69.44 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 634' ' ' THR . . . . . 0.671 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 94.0 m -64.04 -41.96 97.23 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -178.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 635' ' ' THR . . . . . . . . . . . . . 27.5 m -60.87 -37.76 83.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.963 0.411 . . . . 0.0 110.742 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -70.62 -6.42 36.67 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.408 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 107.91 7.48 31.22 Favored Glycine 0 C--N 1.333 0.393 0 C-N-CA 120.54 -0.838 . . . . 0.0 113.898 179.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 638' ' ' TYR . . . . . 0.671 ' O ' ' HA ' ' A' ' 634' ' ' THR . 90.9 m-85 -97.7 150.96 20.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.078 0.439 . . . . 0.0 110.727 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -101.04 109.16 21.02 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 640' ' ' VAL . . . . . 0.577 ' HA ' ' O ' ' A' ' 616' ' ' ILE . 57.7 t -107.64 127.74 63.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.355 0.598 . . . . 0.0 112.55 -178.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 641' ' ' ILE . . . . . . . . . . . . . 81.4 mt -120.21 125.07 73.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.026 178.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 642' ' ' TRP . . . . . 0.425 ' HB3' ' HG2' ' B' ' 43' ' ' LYS . 74.1 t90 -95.25 119.86 34.48 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.987 0.422 . . . . 0.0 110.187 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 88.5 mt -114.53 143.1 45.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.627 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 644' ' ' VAL . . . . . 0.506 HG12 ' O ' ' B' ' 44' ' ' VAL . 14.2 m -75.06 145.93 10.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -69.19 158.25 35.3 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -176.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 103.76 -17.65 48.98 Favored Glycine 0 CA--C 1.524 0.609 0 CA-C-N 115.192 -0.913 . . . . 0.0 115.245 178.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -115.72 105.63 12.95 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 118.62 1.21 . . . . 0.0 113.345 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 81.0 t -71.68 -38.86 68.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.21 178.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 48.9 mp0 -58.51 -38.89 78.65 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.196 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -64.33 -37.63 88.18 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.95 -43.13 93.7 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.73 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.61 -39.31 88.28 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.841 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -59.31 -40.6 86.75 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.272 0.558 . . . . 0.0 111.05 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 95.6 mt -109.16 30.74 6.3 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.096 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 655' ' ' THR . . . . . 0.416 HG21 ' O ' ' A' ' 655' ' ' THR . 6.9 t -45.9 111.11 1.32 Allowed Pre-proline 0 N--CA 1.469 0.48 0 CA-C-O 122.051 0.929 . . . . 0.0 112.694 -178.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -88.65 -172.41 0.72 Allowed 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 124.103 3.202 . . . . 0.0 113.329 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.442 HG12 ' O ' ' A' ' 615' ' ' ARG . 47.9 pt -90.64 -20.04 7.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.502 0.667 . . . . 0.0 109.203 177.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -149.51 140.63 23.01 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.901 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 72.4 t -115.35 127.95 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.856 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 81.6 mt -107.46 120.8 43.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.403 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 85.2 mt -112.86 129.3 56.5 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -140.68 152.66 45.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.122 0.487 . . . . 0.0 112.186 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -78.46 158.94 75.71 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.525 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 664' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -84.68 161.62 66.35 Favored 'Cis proline' 0 C--N 1.351 0.661 0 C-N-CA 124.268 -1.139 . . . . 0.0 113.57 -0.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -115.25 97.74 6.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.042 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 66.7 m -63.57 -41.4 98.4 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.747 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -144.23 130.55 19.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.247 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 107.32 145.1 11.89 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.599 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -96.19 123.85 39.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.388 0.137 . . . . 0.0 110.831 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 62.2 t -60.08 -44.36 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.591 -179.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -61.57 -40.97 96.64 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.682 0.277 . . . . 0.0 110.797 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -62.85 -40.76 98.44 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.616 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.82 -41.35 97.67 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.706 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 77.5 t -61.56 -46.55 96.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.067 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -61.85 -45.33 94.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.661 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . 0.546 ' O ' ' HG2' ' A' ' 680' ' ' ARG . 93.5 mm-40 -63.99 -43.41 95.77 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 87.4 mt -65.5 -38.94 91.18 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.748 0.309 . . . . 0.0 111.363 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -61.37 -39.01 89.06 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.889 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.7 -18.91 60.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.143 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 680' ' ' ARG . . . . . 0.546 ' HG2' ' O ' ' A' ' 676' ' ' GLN . 16.0 mmp_? -88.44 -43.26 11.6 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 70.8 m -131.39 148.85 52.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.555 0.217 . . . . 0.0 111.263 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 55.7 p -73.58 157.53 87.57 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.762 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -55.07 -37.2 94.08 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.966 2.444 . . . . 0.0 113.73 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -70.86 -19.26 62.65 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.766 0.317 . . . . 0.0 111.348 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -97.11 -35.81 10.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.198 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 686' ' ' LEU . . . . . . . . . . . . . 65.6 tp -144.75 129.62 18.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.146 0.498 . . . . 0.0 111.42 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 687' ' ' LYS . . . . . 0.476 ' HE3' ' OG ' ' A' ' 723' ' ' SER . 68.3 mttm -119.03 148.48 42.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.487 178.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 688' ' ' ILE . . . . . . . . . . . . . 79.7 mt -116.43 129.2 73.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.364 -178.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -118.21 142.75 47.14 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 690' ' ' ILE . . . . . 0.451 ' CG2' ' HB2' ' A' ' 693' ' ' SER . 80.8 mt -119.12 130.38 73.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.88 0.371 . . . . 0.0 111.379 -178.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 691' ' ' LEU . . . . . 0.413 ' HG ' ' HB ' ' A' ' 704' ' ' ILE . 5.9 mp -103.31 120.46 40.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.946 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 91.67 -10.18 75.25 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 121.066 -0.588 . . . . 0.0 114.487 178.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 693' ' ' SER . . . . . 0.451 ' HB2' ' CG2' ' A' ' 690' ' ' ILE . 50.9 m -130.81 152.39 50.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 117.539 0.669 . . . . 0.0 110.75 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -148.01 157.76 43.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.989 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . 173.66 168.62 34.96 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 121.077 -0.582 . . . . 0.0 111.992 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -91.33 72.14 6.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.935 0.397 . . . . 0.0 110.634 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -126.27 135.2 51.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.44 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -68.84 152.38 45.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.004 0.431 . . . . 0.0 111.299 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 100.39 -10.49 59.61 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.625 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 59.5 t -108.6 116.69 52.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -70.56 -43.19 70.01 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.889 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 702' ' ' ARG . . . . . 0.416 ' CD ' HE21 ' A' ' 716' ' ' GLN . 44.3 ttm105 -164.44 154.93 14.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.632 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -115.08 146.7 41.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.016 0.436 . . . . 0.0 110.812 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 704' ' ' ILE . . . . . 0.413 ' HB ' ' HG ' ' A' ' 691' ' ' LEU . 5.2 mp -113.16 111.41 50.33 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.208 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.73 153.01 53.75 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.797 2.331 . . . . 0.0 113.33 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 90.8 mt -105.25 150.27 38.68 Favored Pre-proline 0 N--CA 1.465 0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.424 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 707' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.08 156.59 99.82 Favored 'Cis proline' 0 C--N 1.353 0.776 0 C-N-CA 124.001 -1.25 . . . . 0.0 112.599 -0.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 708' ' ' ILE . . . . . . . . . . . . . 33.9 pt -108.07 157.0 8.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.223 0.535 . . . . 0.0 111.834 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -112.49 148.12 38.52 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 177.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -52.16 -50.92 12.37 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.393 2.062 . . . . 0.0 113.425 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -67.39 -41.48 84.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.235 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 68.9 m -62.24 -47.91 82.29 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.688 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 713' ' ' PHE . . . . . 0.437 ' O ' HG21 ' A' ' 717' ' ' VAL . 80.9 t80 -60.33 -50.03 75.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.261 179.211 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 63.4 tp -62.83 -45.75 91.15 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -178.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -64.88 -41.1 95.91 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 121.12 -0.232 . . . . 0.0 111.519 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 716' ' ' GLN . . . . . 0.416 HE21 ' CD ' ' A' ' 702' ' ' ARG . 63.1 tt0 -63.99 -42.74 97.09 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.731 0.3 . . . . 0.0 110.606 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 717' ' ' VAL . . . . . 0.437 HG21 ' O ' ' A' ' 713' ' ' PHE . 61.8 t -66.44 -43.87 90.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.641 178.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 92.8 m -60.34 -45.76 92.3 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.465 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 25.3 mmt -62.14 -41.32 98.17 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.729 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -65.74 -38.69 94.71 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.271 178.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.86 -14.66 62.96 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 -178.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 81.9 p -64.7 -26.43 68.37 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.843 0.354 . . . . 0.0 111.249 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 723' ' ' SER . . . . . 0.476 ' OG ' ' HE3' ' A' ' 687' ' ' LYS . 89.3 p -71.15 -16.31 62.53 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.309 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 724' ' ' LEU . . . . . . . . . . . . . 91.5 mt -97.31 7.75 45.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.619 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . 74.17 -172.68 0.12 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.704 0.802 . . . . 0.0 111.276 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 67.4 p -127.83 160.13 32.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.274 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 93.5 p -145.84 162.56 37.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.52 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -101.21 133.85 45.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.033 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.434 -0.793 . . . . 0.0 111.361 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 61.1 mtt . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 120.93 0.395 . . . . 0.0 110.759 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.15 83.87 64.89 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.372 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -60.75 145.09 99.49 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.02 2.48 . . . . 0.0 112.444 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 57.7 tp -97.19 119.68 36.15 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 17.1 mtt85 -131.73 -119.27 0.21 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.781 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.37 39.21 12.4 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.509 0.724 . . . . 0.0 112.729 179.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 65.8 p -85.12 159.3 20.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.784 0.326 . . . . 0.0 110.701 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.51 143.24 28.42 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 23.0 m -128.75 139.0 53.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 121.224 0.535 . . . . 0.0 112.319 -178.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 85.2 mt -115.76 141.11 48.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.544 178.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -101.75 127.51 48.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.212 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' B' ' 44' ' ' VAL . 0.4 OUTLIER -116.99 110.91 18.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.891 0.377 . . . . 0.0 110.109 179.306 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' TYR . . . . . 0.496 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 91.2 m-85 -99.56 131.28 45.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.756 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 18.0 m -135.21 167.4 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.046 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.13 114.89 17.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.202 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . 0.429 ' N ' HD11 ' B' ' 48' ' ' LEU . . . 80.24 -176.35 54.69 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.474 178.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 34.2 p-10 -108.88 29.33 7.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.977 0.417 . . . . 0.0 110.756 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 67.4 p -68.86 156.87 90.36 Favored Pre-proline 0 C--O 1.235 0.333 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.521 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -54.48 -35.98 86.93 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 123.196 2.597 . . . . 0.0 113.254 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -60.23 -43.12 96.32 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.741 0.305 . . . . 0.0 110.844 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 73.1 m -69.72 -40.65 76.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.059 0.457 . . . . 0.0 110.645 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 68.3 t -65.81 -47.52 85.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.97 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.55 -35.97 81.53 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.251 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.47 -41.09 88.92 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.575 0.226 . . . . 0.0 110.895 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.445 ' O ' ' HB3' ' B' ' 29' ' ' ALA . 80.6 mt -62.35 -42.92 99.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.98 178.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.79 -40.58 95.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.074 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 90.8 m -63.59 -46.04 87.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.49 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.32 -38.66 68.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.669 -179.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' B' ' 25' ' ' LEU . . . -61.23 -42.37 98.49 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -179.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -63.25 -41.67 99.09 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.4 mt -70.33 -43.21 78.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 121.029 0.442 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.63 -37.98 85.96 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.922 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.5 -39.24 86.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 112.119 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -89.84 -46.35 8.63 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -178.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -95.31 -14.46 23.91 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -176.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -129.57 33.48 4.47 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -178.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 9.0 ptmm? -76.98 130.48 37.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.027 0.441 . . . . 0.0 112.087 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' A' ' 634' ' ' THR . . . 83.11 1.44 90.56 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 114.756 0.662 . . . . 0.0 114.756 178.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 5.1 m -128.59 -28.78 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 118.049 0.925 . . . . 0.0 113.3 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -124.59 139.41 53.9 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -178.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.09 154.24 33.51 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.287 178.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 86.3 mt -117.15 145.56 43.75 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -178.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.425 ' HG2' ' HB3' ' A' ' 642' ' ' TRP . 62.6 mttp -130.32 136.24 48.92 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.188 -0.914 . . . . 0.0 108.824 178.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . 0.506 ' O ' HG12 ' A' ' 644' ' ' VAL . 59.4 t -122.14 127.9 75.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -178.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.3 mp -124.67 135.15 64.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.421 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -94.26 112.17 23.95 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 35.3 m -64.94 -29.38 47.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -178.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.429 HD11 ' N ' ' B' ' 16' ' ' GLY . 90.1 mt -68.81 -38.11 79.68 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -70.39 -39.48 74.49 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.537 ' OD1' ' HG ' ' B' ' 53' ' ' LEU . 17.6 t-20 -137.01 92.5 14.1 Favored Pre-proline 0 N--CA 1.45 -0.441 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.86 -23.47 74.29 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 122.703 2.269 . . . . 0.0 112.166 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.531 ' HB3' ' OD1' ' B' ' 50' ' ' ASN . 56.8 tt0 -61.12 -43.18 99.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.32 179.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . 0.537 ' HG ' ' OD1' ' B' ' 50' ' ' ASN . 95.9 mt -62.75 -41.59 99.28 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.96 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.81 -40.89 95.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.822 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.62 -37.46 86.66 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.14 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -66.65 -38.43 86.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.415 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -96.85 7.95 45.46 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 64.4 mttp 57.34 50.84 10.8 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 47.7 mm -97.14 116.62 39.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.443 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 89.5 mt -108.21 -13.7 14.86 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -148.74 151.44 34.85 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 122.433 -0.167 . . . . 0.0 111.325 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' THR . . . . . 0.414 ' HA ' ' C ' ' B' ' 63' ' ' PRO . 67.8 p -136.02 155.13 77.87 Favored Pre-proline 0 N--CA 1.464 0.265 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.717 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . 0.496 ' HA ' ' O ' ' B' ' 13' ' ' TYR . 27.6 Cg_exo -66.08 147.48 74.33 Favored 'Cis proline' 0 C--N 1.354 0.837 0 C-N-CA 124.479 -1.05 . . . . 0.0 113.064 -1.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.31 126.95 40.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.295 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 61.3 tp -103.53 117.57 34.75 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -114.86 138.02 51.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.094 -178.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.42 ' HB3' ' H ' ' B' ' 74' ' ' ARG . 60.0 tttp -104.64 119.33 38.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.641 178.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 48.2 t -102.69 -57.88 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.735 0.302 . . . . 0.0 111.473 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 75.7 mt -131.79 145.06 55.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.03 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -83.75 148.13 57.77 Favored 'Cis proline' 0 C--N 1.35 0.613 0 C-N-CA 123.548 -1.438 . . . . 0.0 112.113 -2.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . 0.437 ' HA ' ' C ' ' B' ' 72' ' ' PRO . 22.2 Cg_exo -66.38 164.27 29.04 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.784 2.323 . . . . 0.0 111.914 178.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . 0.437 ' C ' ' HA ' ' B' ' 71' ' ' PRO . 31.3 Cg_exo -62.18 149.57 59.75 Favored 'Cis proline' 0 C--N 1.355 0.875 0 C-N-CA 125.072 -0.803 . . . . 0.0 114.109 0.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 27.6 m -79.97 146.8 7.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.031 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.42 ' H ' ' HB3' ' B' ' 67' ' ' LYS . 83.9 mtp180 -134.8 151.85 51.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.796 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 28.5 mmt85 -123.98 129.67 51.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.326 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 83.2 mt -119.44 119.32 60.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.995 0.426 . . . . 0.0 110.521 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 82.2 mt -120.78 125.01 73.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.93 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 168.85 -166.52 39.73 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.378 -0.915 . . . . 0.0 112.397 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -84.59 107.15 16.66 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 98.8 mt -85.72 -4.94 59.3 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 84.2 p -75.72 -13.65 60.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.03 0.443 . . . . 0.0 110.428 178.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -91.35 109.18 20.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.918 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -60.7 -37.75 82.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.752 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -59.03 -47.49 85.02 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 120.712 0.291 . . . . 0.0 111.031 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 5.3 ttmm -66.74 -43.41 84.23 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.955 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 79.0 t -61.58 -42.45 94.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.804 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.499 ' O ' ' HG2' ' B' ' 91' ' ' ARG . 64.3 tp -60.14 -45.18 93.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.306 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.11 -47.24 94.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.37 -41.86 98.82 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.242 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 6.7 mp -70.07 -37.04 75.38 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.499 ' HG2' ' O ' ' B' ' 87' ' ' LEU . 22.3 mmt85 -62.35 -38.19 88.56 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.671 0.272 . . . . 0.0 110.684 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.4 -38.52 89.98 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.358 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.08 -38.93 93.13 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.772 179.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.505 ' O ' HG22 ' B' ' 97' ' ' ILE . . . -61.83 -40.3 94.81 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.389 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.01 -41.33 99.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.651 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -64.79 -41.87 95.51 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.971 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.505 HG22 ' O ' ' B' ' 94' ' ' ALA . 19.4 tt -75.37 -30.17 22.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 111.53 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.9 -10.47 86.16 Favored Glycine 0 C--N 1.334 0.419 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.998 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -85.34 72.54 10.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.939 0.399 . . . . 0.0 110.672 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -137.14 128.9 28.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.554 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -102.89 120.01 39.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.197 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -63.62 -45.57 89.68 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.731 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -161.56 159.99 28.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.244 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -86.37 179.24 6.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.743 0.306 . . . . 0.0 110.787 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -157.69 160.07 37.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.182 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 64.7 tttm . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.5 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 121.043 0.449 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . 125.57 141.15 5.52 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.452 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 24.7 tpp180 -81.89 124.78 30.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.067 0.46 . . . . 0.0 111.254 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 20.9 mm -113.23 121.79 66.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.67 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 81.0 t -120.79 125.22 73.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.072 0.463 . . . . 0.0 111.061 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . 0.418 ' HB3' ' CE3' ' A' ' 642' ' ' TRP . 0.3 OUTLIER -111.57 130.11 55.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.325 179.132 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 619' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 643' ' ' LEU . 54.6 t -111.77 113.48 44.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.87 0.367 . . . . 0.0 111.239 -178.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 620' ' ' SER . . . . . 0.567 ' HB3' ' CH2' ' A' ' 642' ' ' TRP . 8.0 t -175.54 179.45 1.44 Allowed 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.543 179.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -117.2 4.74 12.65 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 120.581 0.229 . . . . 0.0 111.372 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -85.61 104.99 15.86 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.133 0.492 . . . . 0.0 111.101 -178.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.67 -37.95 89.28 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.872 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -60.82 -42.43 97.68 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.739 0.304 . . . . 0.0 111.526 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 87.9 m -65.22 -41.92 93.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.212 0.53 . . . . 0.0 110.032 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 45.3 t -60.96 -47.36 86.77 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.23 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 88.9 m -61.12 -47.58 85.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.63 -178.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.402 ' O ' HG13 ' A' ' 632' ' ' ILE . 65.9 tp -64.31 -50.73 66.69 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 629' ' ' ILE . . . . . 0.421 HG22 ' O ' ' A' ' 629' ' ' ILE . 60.1 mt -68.22 -37.7 78.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -178.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 76.4 m -58.93 -42.84 90.68 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 120.162 -0.615 . . . . 0.0 109.927 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 95.4 p -68.2 -34.7 76.75 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.208 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 632' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 628' ' ' LEU . 75.9 mt -62.03 -50.13 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 633' ' ' LEU . . . . . . . . . . . . . 62.0 mt -87.7 -40.02 14.49 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -178.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 634' ' ' THR . . . . . 0.511 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 87.0 m -64.05 -44.46 92.39 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -177.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 635' ' ' THR . . . . . . . . . . . . . 18.1 m -60.84 -36.15 78.4 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.984 0.421 . . . . 0.0 110.898 -179.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -68.5 -8.09 38.05 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.131 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 107.82 8.98 29.26 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.499 -0.858 . . . . 0.0 113.708 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 638' ' ' TYR . . . . . 0.511 ' O ' ' HA ' ' A' ' 634' ' ' THR . 91.3 m-85 -95.4 147.99 22.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 117.029 0.415 . . . . 0.0 110.897 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.57 100.88 13.07 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 60.1 t -104.31 129.22 56.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -177.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 641' ' ' ILE . . . . . . . . . . . . . 79.9 mt -122.64 127.77 75.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.591 177.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 642' ' ' TRP . . . . . 0.567 ' CH2' ' HB3' ' A' ' 620' ' ' SER . 53.1 t-105 -99.29 120.87 40.27 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.019 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . 0.42 ' O ' ' HA ' ' A' ' 619' ' ' VAL . 84.3 mt -118.26 140.04 50.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.935 0.398 . . . . 0.0 111.158 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 644' ' ' VAL . . . . . 0.514 HG22 ' O ' ' B' ' 44' ' ' VAL . 98.5 t -75.26 137.51 22.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.418 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -64.56 161.88 16.59 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 103.35 -18.32 48.73 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-N 114.903 -1.044 . . . . 0.0 114.777 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 50.1 mp0 -115.6 107.23 14.86 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.426 1.113 . . . . 0.0 113.114 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 95.5 t -72.43 -39.77 63.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.587 177.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -58.25 -33.69 69.65 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.178 179.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -61.5 -40.6 95.19 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 94.2 mt -67.1 -39.68 86.76 Favored 'General case' 0 C--O 1.226 -0.138 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.63 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 9.0 mp -65.56 -39.38 91.63 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.345 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -59.31 -41.27 88.66 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.632 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 91.2 mt -110.12 29.93 7.2 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.839 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 655' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -31.5 102.1 0.19 Allowed Pre-proline 0 N--CA 1.478 0.943 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -178.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -88.41 176.96 3.42 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.929 3.086 . . . . 0.0 113.118 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.411 ' O ' ' HA ' ' A' ' 686' ' ' LEU . 46.4 pt -85.4 -18.36 9.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.352 0.596 . . . . 0.0 109.454 177.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -151.69 143.22 23.53 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.276 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 67.5 t -117.29 126.17 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 110.286 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 8.8 mp -108.62 124.74 50.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.989 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -109.03 125.54 52.19 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -109.13 126.72 53.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.981 0.42 . . . . 0.0 111.811 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . 0.439 ' OE2' HG23 ' A' ' 670' ' ' VAL . 70.9 mm-40 -82.59 154.05 68.29 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.476 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 664' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -81.9 157.91 80.25 Favored 'Cis proline' 0 C--N 1.348 0.528 0 C-N-CA 123.894 -1.294 . . . . 0.0 113.242 -0.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -99.78 100.82 11.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.158 178.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 78.6 p -66.04 -38.98 89.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 112.02 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -129.01 134.79 48.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.893 0.378 . . . . 0.0 111.31 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 90.79 151.77 26.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.905 -0.664 . . . . 0.0 113.108 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -95.95 124.66 40.06 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 670' ' ' VAL . . . . . 0.439 HG23 ' OE2' ' A' ' 663' ' ' GLU . 70.8 t -59.45 -46.13 93.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -178.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -62.83 -40.79 98.51 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.555 0.217 . . . . 0.0 111.31 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -64.0 -42.91 97.01 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.942 0.401 . . . . 0.0 110.499 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.46 -44.55 96.15 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.66 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 670' ' ' VAL . 65.9 t -61.27 -44.77 99.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.006 179.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 675' ' ' ASP . . . . . 0.538 ' O ' ' HG2' ' A' ' 678' ' ' ARG . 38.0 t70 -60.55 -43.16 97.52 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.087 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' A' ' 680' ' ' ARG . 97.4 mm-40 -64.37 -41.45 96.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.651 0.263 . . . . 0.0 111.088 179.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 83.7 mt -65.44 -40.3 93.1 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 678' ' ' ARG . . . . . 0.538 ' HG2' ' O ' ' A' ' 675' ' ' ASP . 9.1 ptm180 -69.27 -18.6 63.88 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.737 0.303 . . . . 0.0 111.169 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -85.73 -13.08 49.48 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.729 0.299 . . . . 0.0 110.569 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 680' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 676' ' ' GLN . 29.8 mmm180 -96.04 -44.77 7.19 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.049 0.452 . . . . 0.0 110.422 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 72.6 m -130.44 148.36 52.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.538 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 68.0 p -74.61 157.74 85.72 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.937 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -55.2 -38.18 93.79 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 123.008 2.472 . . . . 0.0 113.86 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 21.5 pm0 -72.15 -22.51 61.3 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 121.17 -0.212 . . . . 0.0 111.467 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -89.69 -35.52 15.75 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.601 0.239 . . . . 0.0 111.603 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 686' ' ' LEU . . . . . 0.411 ' HA ' ' O ' ' A' ' 657' ' ' ILE . 0.2 OUTLIER -140.77 133.91 29.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.859 0.361 . . . . 0.0 110.687 -179.767 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -109.03 149.38 29.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.778 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 688' ' ' ILE . . . . . 0.425 HD12 HG23 ' A' ' 688' ' ' ILE . 50.9 mm -113.37 127.57 70.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.767 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -125.43 142.99 51.2 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 85.4 mt -122.41 130.15 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.122 0.487 . . . . 0.0 111.461 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 691' ' ' LEU . . . . . 0.432 ' HG ' ' HB ' ' A' ' 704' ' ' ILE . 5.4 mp -106.16 131.73 53.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.999 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 692' ' ' GLY . . . . . 0.488 ' HA2' ' HB2' ' A' ' 706' ' ' LEU . . . 100.8 -18.27 55.18 Favored Glycine 0 CA--C 1.517 0.187 0 C-N-CA 120.902 -0.666 . . . . 0.0 114.55 178.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 88.6 p -139.11 163.06 33.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 117.729 0.765 . . . . 0.0 111.254 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . 0.456 ' HA ' ' CD2' ' A' ' 703' ' ' TYR . 21.9 ptmt -146.5 160.08 42.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.191 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . 176.09 -170.61 43.54 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.562 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -103.57 21.87 15.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.744 0.307 . . . . 0.0 111.095 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -72.02 141.73 49.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.023 0.44 . . . . 0.0 111.127 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -86.18 158.48 19.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.017 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 95.53 -7.6 68.54 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.865 -0.684 . . . . 0.0 112.697 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 60.0 t -111.93 122.75 66.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -67.22 -43.02 83.05 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.135 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -160.26 150.38 18.21 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.759 0.314 . . . . 0.0 111.326 -179.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 703' ' ' TYR . . . . . 0.456 ' CD2' ' HA ' ' A' ' 694' ' ' LYS . 98.0 m-85 -110.18 136.89 48.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.554 179.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 704' ' ' ILE . . . . . 0.432 ' HB ' ' HG ' ' A' ' 691' ' ' LEU . 4.7 mp -112.99 105.79 55.49 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-O 120.663 0.268 . . . . 0.0 110.619 179.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 705' ' ' PRO . . . . . 0.611 ' O ' HG22 ' A' ' 708' ' ' ILE . 34.6 Cg_exo -61.53 146.26 97.14 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 123.484 2.79 . . . . 0.0 113.706 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . 0.556 ' CD1' ' HA ' ' A' ' 707' ' ' PRO . 30.1 tp -107.55 141.92 24.06 Favored Pre-proline 0 CA--C 1.535 0.367 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 707' ' ' PRO . . . . . 0.556 ' HA ' ' CD1' ' A' ' 706' ' ' LEU . 59.9 Cg_endo -70.46 153.21 94.65 Favored 'Cis proline' 0 C--N 1.355 0.902 0 C-N-CA 124.323 -1.115 . . . . 0.0 113.678 0.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 708' ' ' ILE . . . . . 0.611 HG22 ' O ' ' A' ' 705' ' ' PRO . 24.8 pt -107.4 155.51 8.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.987 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -109.33 146.73 34.54 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -52.95 -52.02 9.77 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.488 2.125 . . . . 0.0 113.625 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 50.7 mp0 -67.22 -40.61 86.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.318 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 69.1 m -62.89 -46.04 89.71 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.217 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 713' ' ' PHE . . . . . 0.406 ' O ' HG23 ' A' ' 717' ' ' VAL . 77.9 t80 -59.79 -49.94 75.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.349 179.076 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 2.1 tt -62.6 -43.16 99.51 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.978 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -63.66 -41.98 98.15 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -65.87 -41.94 90.99 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 121.094 -0.243 . . . . 0.0 110.958 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 717' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 713' ' ' PHE . 65.4 t -65.12 -45.19 94.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.615 179.111 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 90.2 m -60.85 -47.62 85.55 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.332 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 98.2 mtp -64.69 -40.11 94.82 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.329 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -63.45 -39.39 97.66 Favored Glycine 0 CA--C 1.521 0.425 0 C-N-CA 120.87 -0.681 . . . . 0.0 113.056 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.86 -6.19 49.59 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 -178.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 74.2 p -65.75 -31.32 72.25 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 118.133 0.424 . . . . 0.0 111.258 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 73.5 m -66.24 -39.73 89.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.56 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 724' ' ' LEU . . . . . . . . . . . . . 2.1 tt -67.39 -44.19 79.5 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.115 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -153.7 146.65 24.47 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.965 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 15.0 t -150.53 157.28 42.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.698 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 60.7 m -129.34 148.2 51.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.68 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -147.09 153.36 39.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.675 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 20.0 mp0 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.145 -0.931 . . . . 0.0 111.013 179.932 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 121.029 0.442 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.19 79.57 72.48 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.146 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -57.18 -39.78 87.86 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 123.051 2.501 . . . . 0.0 113.173 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.8 tp -152.17 55.57 0.82 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.948 0.404 . . . . 0.0 110.239 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -115.9 80.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.364 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -135.44 79.85 1.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.701 0.286 . . . . 0.0 111.257 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 68.8 p -132.81 158.41 42.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.781 0.324 . . . . 0.0 111.471 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.26 139.58 39.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.998 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 65.0 t -114.01 119.74 61.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.012 0.434 . . . . 0.0 111.559 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 mp -101.19 120.02 39.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.921 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.464 ' HG2' ' HD2' ' B' ' 43' ' ' LYS . 59.9 mtpt -102.2 109.35 21.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.711 0.291 . . . . 0.0 111.212 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.6 tp -99.53 119.63 38.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.109 0.48 . . . . 0.0 111.21 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' TYR . . . . . 0.459 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 41.1 m-85 -98.66 129.52 45.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.23 178.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 32.6 m -133.62 168.42 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.256 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.7 101.46 7.74 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.198 -179.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.65 -165.89 50.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 121.019 -0.61 . . . . 0.0 113.347 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -105.27 32.75 4.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.882 0.372 . . . . 0.0 110.613 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 67.6 p -65.01 152.49 91.09 Favored Pre-proline 0 CA--C 1.532 0.275 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.519 -179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -54.52 -38.33 90.18 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 123.165 2.577 . . . . 0.0 113.503 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -61.74 -40.03 93.66 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.845 0.355 . . . . 0.0 110.735 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 68.8 m -69.74 -40.76 75.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.202 179.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 60.9 t -65.0 -47.09 89.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.877 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -65.5 -37.01 85.56 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.38 -42.38 91.53 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 121.325 -0.15 . . . . 0.0 111.307 -179.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 73.6 mt -62.92 -40.77 98.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.307 178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.89 -42.34 99.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.692 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 74.5 p -73.09 -40.02 65.36 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.742 0.306 . . . . 0.0 111.396 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 62.2 tp -63.49 -46.95 83.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.881 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.76 -41.11 96.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.72 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -61.98 -45.22 94.59 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.16 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 84.6 mt -63.88 -46.0 95.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 93.3 mt -69.77 -38.65 76.8 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -178.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -70.42 -17.77 63.01 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.893 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -96.93 -46.51 6.19 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -178.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -94.87 -47.59 6.38 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -176.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -130.68 64.67 1.55 Allowed 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -177.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -81.25 147.33 29.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.795 0.331 . . . . 0.0 110.99 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.3 -7.68 80.16 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.758 -0.734 . . . . 0.0 114.157 178.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 6.4 m -118.64 -21.52 4.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 117.823 0.811 . . . . 0.0 112.601 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -117.5 129.23 55.67 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.9 145.32 33.92 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 176.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 85.7 mt -118.21 142.12 47.8 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -177.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.464 ' HD2' ' HG2' ' B' ' 11' ' ' LYS . 16.5 ptpt -141.65 149.54 40.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.327 177.206 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . 0.514 ' O ' HG22 ' A' ' 644' ' ' VAL . 7.0 p -128.44 138.71 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.09 0.472 . . . . 0.0 111.354 -178.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.0 mp -125.26 132.88 70.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.291 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -93.11 110.07 21.56 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 34.5 m -64.9 -26.87 41.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 90.4 mt -66.34 -39.05 88.96 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -70.62 -39.07 73.94 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.701 ' OD1' ' HG2' ' B' ' 52' ' ' GLN . 38.2 t-20 -141.73 93.17 7.71 Favored Pre-proline 0 C--N 1.328 -0.329 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -65.13 -23.65 60.19 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.018 2.479 . . . . 0.0 114.548 -178.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.701 ' HG2' ' OD1' ' B' ' 50' ' ' ASN . 18.0 pt20 -69.3 -24.82 63.99 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.353 -179.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 93.2 mt -63.9 -41.89 97.59 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.883 0.373 . . . . 0.0 110.359 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.32 92.93 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.492 178.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.94 -37.89 88.87 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.163 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' B' ' 52' ' ' GLN . 98.2 mt-10 -63.77 -39.04 93.3 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.553 -178.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -99.65 9.96 42.2 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 64.1 mttp 59.24 45.61 13.99 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 41.8 mm -100.13 113.1 34.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.092 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 90.0 mt -111.02 3.43 18.66 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -148.95 159.99 43.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.51 0.195 . . . . 0.0 111.312 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 63.3 p -140.95 148.28 51.54 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.744 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . 0.459 ' HA ' ' O ' ' B' ' 13' ' ' TYR . 89.3 Cg_endo -79.63 144.69 71.73 Favored 'Cis proline' 0 C--N 1.35 0.616 0 C-N-CA 123.445 -1.481 . . . . 0.0 112.716 -1.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 88.4 m -129.14 131.53 47.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.993 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.7 tt -101.35 120.75 40.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.935 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -109.95 134.24 52.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.136 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.492 ' O ' HG12 ' B' ' 73' ' ' VAL . 86.1 tttt -103.85 118.05 35.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.905 178.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 52.6 t -105.52 -60.76 2.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.822 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 92.2 mt -132.39 141.09 40.0 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.572 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.06 160.33 96.66 Favored 'Cis proline' 0 C--N 1.347 0.493 0 C-N-CA 123.589 -1.421 . . . . 0.0 112.271 -1.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.16 166.29 29.67 Favored 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 122.858 2.372 . . . . 0.0 112.272 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.37 161.42 94.56 Favored 'Cis proline' 0 C--N 1.354 0.818 0 C-N-CA 124.239 -1.15 . . . . 0.0 114.493 1.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . 0.492 HG12 ' O ' ' B' ' 67' ' ' LYS . 85.6 t -79.86 122.64 35.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.099 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -133.09 153.17 51.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.993 -179.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 95.9 mtm-85 -124.48 134.39 53.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.463 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 80.9 mt -116.7 119.77 62.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.312 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 81.7 mt -117.08 125.04 73.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.369 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 172.42 -171.82 44.52 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.137 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -87.99 104.32 16.53 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.0 mp -83.79 1.59 42.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.756 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 69.8 m -64.18 -32.26 73.78 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.065 0.459 . . . . 0.0 110.277 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -85.32 114.1 22.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.378 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -60.27 -37.02 79.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.473 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.14 -44.14 92.05 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.699 0.285 . . . . 0.0 110.526 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -64.28 -41.24 97.0 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.14 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 83.3 t -61.09 -41.16 88.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.195 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 15.4 mt -60.08 -39.5 86.29 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.367 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 93.9 mt -60.73 -48.43 88.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.744 0.307 . . . . 0.0 111.144 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.59 -45.43 83.22 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 79.0 mt -70.58 -36.23 73.46 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -59.17 -44.88 92.15 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.908 0.385 . . . . 0.0 110.757 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 88.2 mt -64.32 -40.79 96.62 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.687 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.21 -40.35 94.01 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.505 ' O ' HG21 ' B' ' 97' ' ' ILE . . . -61.91 -40.9 97.06 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.549 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.85 -42.02 97.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.311 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.32 -41.24 94.22 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.056 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.505 HG21 ' O ' ' B' ' 94' ' ' ALA . 16.0 tt -71.92 -27.62 28.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-O 120.688 0.28 . . . . 0.0 111.41 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -62.22 -37.76 95.07 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 121.255 -0.498 . . . . 0.0 112.776 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -85.32 73.67 10.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.917 0.389 . . . . 0.0 110.706 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -131.27 124.81 31.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.463 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp 61.35 -162.91 0.27 Allowed 'General case' 0 N--CA 1.469 0.502 0 O-C-N 123.686 0.616 . . . . 0.0 111.517 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -93.32 105.39 17.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.835 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -89.0 99.25 12.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.845 0.355 . . . . 0.0 110.371 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -91.68 102.91 15.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.554 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -157.13 159.43 37.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.228 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 88.2 tttt . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.15 -0.928 . . . . 0.0 110.448 -179.941 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 121.024 0.44 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . -82.36 61.71 4.68 Favored Glycine 0 CA--C 1.517 0.179 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.622 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -91.84 150.71 20.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.08 0.467 . . . . 0.0 111.19 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . 0.508 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 49.3 mm -123.43 132.68 70.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.866 -178.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 75.9 t -107.16 124.76 63.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 121.174 0.511 . . . . 0.0 111.215 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -102.24 118.93 37.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.635 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 60.6 t -114.71 109.07 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.032 0.444 . . . . 0.0 110.637 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 34.2 t -165.72 147.98 7.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.86 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -84.52 -9.74 58.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.738 0.304 . . . . 0.0 110.675 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -87.6 106.09 17.77 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.942 0.401 . . . . 0.0 110.074 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 51.1 mp0 -63.76 -38.94 92.99 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.813 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -60.92 -45.29 95.25 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -178.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 88.8 m -67.1 -42.57 84.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.098 0.475 . . . . 0.0 110.133 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 70.1 m -62.49 -42.51 99.54 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.568 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 89.3 m -63.46 -43.96 95.86 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.898 0.38 . . . . 0.0 110.757 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 1.2 tt -62.79 -46.71 86.74 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.872 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 629' ' ' ILE . . . . . . . . . . . . . 36.0 mm -63.2 -44.04 99.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.764 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 630' ' ' CYS . . . . . 0.44 ' SG ' HG12 ' A' ' 640' ' ' VAL . 99.0 m -61.67 -42.67 99.24 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.279 -178.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 70.7 m -63.73 -41.4 98.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.579 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 97.7 mt -62.43 -47.68 91.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 633' ' ' LEU . . . . . . . . . . . . . 2.3 mp -80.49 -38.93 28.92 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 634' ' ' THR . . . . . 0.718 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 93.7 m -63.66 -43.06 97.86 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -178.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 635' ' ' THR . . . . . . . . . . . . . 32.9 m -62.0 -37.83 86.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.044 0.45 . . . . 0.0 110.736 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -68.51 -6.48 25.42 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 108.51 5.01 32.25 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 120.544 -0.836 . . . . 0.0 113.929 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 638' ' ' TYR . . . . . 0.718 ' O ' ' HA ' ' A' ' 634' ' ' THR . 83.1 m-85 -99.83 155.31 17.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.979 0.389 . . . . 0.0 110.337 179.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -104.24 114.94 29.53 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 640' ' ' VAL . . . . . 0.508 ' HA ' ' O ' ' A' ' 616' ' ' ILE . 61.5 t -108.53 127.99 64.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.123 0.487 . . . . 0.0 111.747 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 641' ' ' ILE . . . . . . . . . . . . . 74.2 mt -117.51 126.24 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 642' ' ' TRP . . . . . 0.509 ' HB3' ' HG3' ' B' ' 43' ' ' LYS . 63.5 t90 -92.09 118.17 30.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.169 0.509 . . . . 0.0 110.659 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.01 140.04 43.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.026 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 9.8 m -75.3 142.85 14.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -65.35 150.32 48.49 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -177.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 95.64 -6.43 67.66 Favored Glycine 0 C--N 1.337 0.622 0 CA-C-N 115.54 -0.754 . . . . 0.0 114.328 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 647' ' ' GLU . . . . . 0.417 ' HB3' ' HD2' ' A' ' 650' ' ' ARG . 81.2 mm-40 -114.07 95.47 5.31 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 117.85 0.825 . . . . 0.0 113.175 -179.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 73.6 t -70.73 -39.12 75.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.303 177.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -58.3 -37.74 75.64 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.299 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . 0.417 ' HD2' ' HB3' ' A' ' 647' ' ' GLU . 0.0 OUTLIER -64.18 -38.19 90.18 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 177.862 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.22 -40.39 86.4 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.124 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.14 -40.18 90.4 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.375 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -60.21 -40.48 90.27 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.188 0.518 . . . . 0.0 111.234 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 88.8 mt -110.21 30.16 7.01 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.347 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 655' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -40.29 104.02 0.31 Allowed Pre-proline 0 N--CA 1.477 0.924 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -178.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -88.29 -178.78 2.19 Favored 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 123.808 3.006 . . . . 0.0 112.59 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.52 ' O ' ' HA ' ' A' ' 686' ' ' LEU . 44.9 pt -81.45 -24.17 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.247 0.546 . . . . 0.0 109.762 177.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -152.65 150.7 29.76 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.574 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 18.6 m -122.49 147.39 26.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.858 0.361 . . . . 0.0 110.839 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 84.8 mt -121.51 122.99 40.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.744 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 77.9 mt -108.87 124.02 49.98 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -123.25 137.34 54.89 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . 0.485 ' HB2' ' HA ' ' A' ' 664' ' ' PRO . 22.3 pt-20 -77.57 160.34 75.06 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.446 179.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 664' ' ' PRO . . . . . 0.485 ' HA ' ' HB2' ' A' ' 663' ' ' GLU . 91.9 Cg_endo -77.64 155.47 95.53 Favored 'Cis proline' 0 C--N 1.351 0.681 0 C-N-CA 124.209 -1.163 . . . . 0.0 113.267 -0.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -115.08 80.21 1.39 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.915 179.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 71.1 m -62.93 -40.97 99.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.37 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -124.31 128.57 49.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.865 0.364 . . . . 0.0 111.177 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 97.89 143.46 14.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.942 -0.646 . . . . 0.0 113.036 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -96.3 117.85 31.65 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 32.9 m -61.85 -33.09 56.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 C-N-CA 121.276 -0.17 . . . . 0.0 111.436 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -64.67 -39.32 93.48 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.972 0.415 . . . . 0.0 109.988 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -64.43 -41.45 96.58 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.791 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.22 -42.55 99.4 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.353 179.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . 0.475 ' O ' ' HG3' ' A' ' 678' ' ' ARG . 56.4 t -61.58 -47.15 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.247 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -62.46 -44.15 97.1 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.778 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . 0.436 ' O ' ' HD3' ' A' ' 680' ' ' ARG . 97.1 mm-40 -64.34 -42.11 96.42 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.627 0.251 . . . . 0.0 111.622 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.7 -38.15 88.41 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 678' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 674' ' ' VAL . 77.6 mtm180 -62.55 -38.16 88.96 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -84.45 -11.2 56.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.07 0.462 . . . . 0.0 111.026 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 680' ' ' ARG . . . . . 0.436 ' HD3' ' O ' ' A' ' 676' ' ' GLN . 8.4 mpt_? -92.28 -47.23 7.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.274 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 72.9 m -127.89 150.01 50.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.942 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 68.8 p -72.53 153.55 91.75 Favored Pre-proline 0 C--O 1.234 0.264 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.807 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -61.69 -28.3 82.17 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.519 2.146 . . . . 0.0 113.147 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -74.18 -21.36 59.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.892 0.377 . . . . 0.0 110.779 178.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -97.49 -36.73 10.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.079 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 686' ' ' LEU . . . . . 0.52 ' HA ' ' O ' ' A' ' 657' ' ' ILE . 58.0 tp -138.53 126.7 22.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.092 0.473 . . . . 0.0 111.597 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -111.18 148.96 31.64 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.169 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 688' ' ' ILE . . . . . . . . . . . . . 24.6 mm -105.55 124.39 60.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -178.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -125.43 141.7 51.91 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.767 -0.456 . . . . 0.0 109.767 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 82.6 mt -125.37 130.9 72.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 121.107 0.48 . . . . 0.0 111.499 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 691' ' ' LEU . . . . . 0.423 ' HG ' ' HB ' ' A' ' 704' ' ' ILE . 4.8 mp -97.36 138.28 35.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.255 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 81.82 19.25 65.98 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.924 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 70.7 m -66.7 134.46 52.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.643 0.259 . . . . 0.0 111.446 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -67.66 -39.58 84.53 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.297 0.57 . . . . 0.0 109.873 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . -156.63 -171.84 23.27 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.676 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -69.79 132.37 45.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.681 0.277 . . . . 0.0 111.03 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -121.85 150.18 42.29 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.477 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -74.1 143.63 45.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.495 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 84.33 3.06 88.94 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.576 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 57.4 t -113.8 122.62 68.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -65.37 -45.11 85.39 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.688 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -157.6 146.4 19.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.177 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 56.2 p90 -123.47 148.92 45.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.911 0.386 . . . . 0.0 111.082 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 704' ' ' ILE . . . . . 0.423 ' HB ' ' HG ' ' A' ' 691' ' ' LEU . 4.9 mp -116.8 103.72 51.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.879 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 705' ' ' PRO . . . . . 0.438 ' O ' HG21 ' A' ' 708' ' ' ILE . 62.9 Cg_endo -71.68 150.81 57.23 Favored 'Trans proline' 0 CA--C 1.534 0.498 0 C-N-CA 122.673 2.249 . . . . 0.0 113.543 -179.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . 0.436 ' CD2' HG23 ' A' ' 708' ' ' ILE . 75.7 mt -95.41 151.65 38.77 Favored Pre-proline 0 N--CA 1.465 0.3 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.634 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 707' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -70.61 149.62 90.95 Favored 'Cis proline' 0 C--N 1.352 0.74 0 C-N-CA 124.322 -1.116 . . . . 0.0 112.394 -1.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 708' ' ' ILE . . . . . 0.438 HG21 ' O ' ' A' ' 705' ' ' PRO . 37.1 pt -107.72 153.4 9.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.0 0.429 . . . . 0.0 111.198 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -114.76 147.3 37.9 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -53.2 -50.5 13.78 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.437 2.092 . . . . 0.0 113.434 -179.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 50.9 mp0 -65.69 -40.32 92.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.159 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 70.3 m -64.45 -47.72 78.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.2 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 713' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -60.32 -49.02 79.26 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.295 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . 0.428 ' O ' HG12 ' A' ' 717' ' ' VAL . 63.9 tp -60.81 -45.42 94.49 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -64.37 -42.35 96.23 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.686 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -67.1 -41.11 86.85 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 717' ' ' VAL . . . . . 0.502 ' O ' ' HG ' ' A' ' 721' ' ' LEU . 7.4 p -73.0 -38.05 54.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 92.9 m -61.23 -45.33 94.98 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.48 0.181 . . . . 0.0 111.162 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 38.8 mmt -61.58 -40.85 96.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.44 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -64.5 -39.94 97.26 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.94 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 721' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 717' ' ' VAL . 97.9 mt -72.02 -21.59 61.52 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 122.576 0.35 . . . . 0.0 111.768 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 97.2 m -60.17 -42.05 94.15 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.574 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 75.0 m -62.92 -37.95 89.04 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.668 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 724' ' ' LEU . . . . . 0.492 HD12 ' O ' ' A' ' 657' ' ' ILE . 55.4 mt -72.57 -85.34 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.475 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -165.95 158.64 14.97 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.47 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 60.47 67.63 0.82 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 123.444 0.465 . . . . 0.0 111.919 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 80.8 p -64.66 -34.1 77.49 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.282 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . 56.94 -114.55 0.83 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.783 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 9.7 mp0 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.884 -179.791 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 121.048 0.452 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.8 148.77 70.86 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.536 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -57.44 -38.73 93.38 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 122.844 2.363 . . . . 0.0 113.063 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 mp -125.98 163.97 21.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.041 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 57.2 mmm-85 62.69 34.19 14.99 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.817 0.698 . . . . 0.0 111.596 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -139.88 90.13 2.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.932 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 34.5 p -129.81 158.84 38.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.773 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.32 145.96 25.61 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 19.7 m -117.15 127.82 74.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.459 0.647 . . . . 0.0 112.234 -178.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 mp -105.49 126.31 51.98 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.789 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.439 ' HD3' ' HB2' ' B' ' 43' ' ' LYS . 35.4 mmtp -101.68 109.18 20.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.9 0.381 . . . . 0.0 111.053 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.45 113.45 25.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.318 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -99.58 130.09 45.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.349 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 19.0 m -132.62 164.84 33.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.637 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.6 114.76 10.88 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 120.864 0.364 . . . . 0.0 111.666 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.02 -165.24 45.18 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 120.844 -0.693 . . . . 0.0 113.766 178.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -111.4 36.02 3.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.652 0.263 . . . . 0.0 111.276 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 59.8 p -72.57 145.86 87.93 Favored Pre-proline 0 C--N 1.325 -0.474 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.732 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -56.09 -38.07 95.4 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.164 2.576 . . . . 0.0 114.09 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -65.44 -33.89 77.01 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.812 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 71.9 m -72.86 -41.72 64.46 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.324 0.583 . . . . 0.0 110.208 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 75.8 t -65.63 -47.1 87.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.683 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 -69.17 -29.63 67.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.145 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.58 -41.75 86.45 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -178.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.423 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 78.7 mt -62.85 -41.45 99.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.757 0.313 . . . . 0.0 111.162 178.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -63.85 -40.91 97.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.953 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 85.8 m -69.51 -44.73 70.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.848 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.406 ' O ' HD12 ' B' ' 32' ' ' LEU . 55.6 tp -65.14 -43.04 93.16 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.98 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.423 ' HB1' ' O ' ' B' ' 25' ' ' LEU . . . -61.52 -39.26 90.4 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.101 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . 0.539 ' O ' ' HG2' ' B' ' 33' ' ' GLU . 27.7 t-20 -60.83 -43.0 98.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.68 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.65 -44.09 96.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.324 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.485 ' HA ' ' HB2' ' B' ' 36' ' ' PHE . 3.9 mp -67.23 -38.64 85.56 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.632 -178.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' B' ' 30' ' ' ASN . 11.8 pt-20 -68.04 -19.86 64.93 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.388 0.885 . . . . 0.0 113.388 -178.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -98.92 -62.89 1.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 -177.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 49.8 mp0 -95.78 -15.85 22.29 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -176.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . 0.485 ' HB2' ' HA ' ' B' ' 32' ' ' LEU . 74.9 m-85 -118.03 21.59 12.71 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.458 -0.497 . . . . 0.0 112.078 -177.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -70.67 132.47 45.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.905 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.552 ' HA2' ' O ' ' A' ' 634' ' ' THR . . . 85.43 2.97 87.13 Favored Glycine 0 C--N 1.333 0.404 0 N-CA-C 114.566 0.586 . . . . 0.0 114.566 178.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.471 ' O ' HG23 ' B' ' 39' ' ' VAL . 2.6 p -134.77 -26.06 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 117.789 0.795 . . . . 0.0 112.543 -179.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -120.8 137.27 54.61 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.58 154.0 27.87 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.365 177.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.6 141.56 47.04 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -177.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.509 ' HG3' ' HB3' ' A' ' 642' ' ' TRP . 0.3 OUTLIER -130.32 137.84 50.15 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.512 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 48.8 t -120.03 122.73 69.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 120.727 -0.389 . . . . 0.0 112.04 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.2 mp -126.9 135.11 64.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.418 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -93.23 114.79 27.36 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.937 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.03 -43.53 96.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -178.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.03 -40.7 96.6 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -177.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -70.39 -39.45 74.53 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 120.511 -0.476 . . . . 0.0 112.152 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.52 ' OD1' ' HB3' ' B' ' 52' ' ' GLN . 32.2 t-20 -134.77 90.19 23.48 Favored Pre-proline 0 C--N 1.328 -0.333 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.283 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -63.5 -24.26 70.6 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.692 2.261 . . . . 0.0 112.41 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.52 ' HB3' ' OD1' ' B' ' 50' ' ' ASN . 40.7 tt0 -61.28 -42.51 98.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.027 179.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 97.2 mt -64.16 -40.77 96.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.47 -40.28 89.28 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.805 178.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.3 -27.47 67.19 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.283 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.97 -41.24 97.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.042 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -100.07 10.86 40.61 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.442 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 64.3 mttp 59.22 46.38 13.0 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 123.586 0.554 . . . . 0.0 111.919 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 49.5 mm -91.94 113.06 26.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.55 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 89.7 mt -109.81 -0.29 18.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.286 -0.416 . . . . 0.0 112.022 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -148.33 154.74 40.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.632 0.253 . . . . 0.0 111.226 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 64.8 p -141.45 150.34 57.45 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.906 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -81.23 134.62 28.56 Favored 'Cis proline' 0 C--N 1.348 0.503 0 C-N-CA 124.156 -1.185 . . . . 0.0 112.22 -1.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 31.9 p -132.03 152.58 51.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.015 0.436 . . . . 0.0 111.364 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 65.7 tp -106.01 124.81 50.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.075 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -110.39 135.39 51.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.803 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -105.59 120.41 41.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.518 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 83.5 t -98.05 -50.66 11.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.106 0.479 . . . . 0.0 109.945 178.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 80.9 mt -129.92 136.69 29.45 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.051 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -76.23 151.7 95.39 Favored 'Cis proline' 0 C--N 1.347 0.455 0 C-N-CA 123.565 -1.431 . . . . 0.0 112.744 -0.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.61 166.21 29.87 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.018 2.479 . . . . 0.0 112.305 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -72.64 159.63 96.26 Favored 'Cis proline' 0 C--N 1.353 0.806 0 C-N-CA 124.269 -1.138 . . . . 0.0 113.781 1.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 10.1 m -68.52 130.2 33.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.233 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -136.66 158.58 44.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.295 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 34.1 ptt-85 -129.47 149.74 51.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.942 0.401 . . . . 0.0 110.77 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 81.8 mt -114.27 122.3 68.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.398 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 81.0 mt -115.66 123.92 71.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.033 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 172.98 -165.66 38.01 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.828 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -85.69 98.93 10.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.881 0.372 . . . . 0.0 110.222 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -69.78 -25.33 63.74 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.37 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 77.1 p -69.81 -18.94 63.49 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 120.76 0.314 . . . . 0.0 111.347 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 61.0 t-20 -88.98 104.28 16.83 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . 0.451 ' HA ' ' CG1' ' B' ' 86' ' ' VAL . 44.3 ttm180 -60.59 -37.77 82.43 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.08 -178.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.76 -46.82 87.97 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 120.587 0.232 . . . . 0.0 111.427 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -71.81 -45.89 60.0 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.451 ' CG1' ' HA ' ' B' ' 83' ' ' ARG . 7.2 p -60.98 -32.63 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.325 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 5.7 mt -64.53 -39.91 94.64 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 177.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 82.1 mt -61.43 -48.16 90.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.482 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.47 -42.54 98.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.188 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 5.6 mp -74.57 -36.77 63.07 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 44.7 tpt85 -60.64 -38.42 84.75 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.781 0.324 . . . . 0.0 110.954 -178.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.64 -37.63 84.71 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.639 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.02 -38.74 89.82 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.79 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.557 ' O ' HG23 ' B' ' 97' ' ' ILE . . . -61.04 -40.74 94.78 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.118 0.485 . . . . 0.0 111.254 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.33 -41.07 96.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.348 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -64.98 -41.52 95.36 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.956 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.557 HG23 ' O ' ' B' ' 94' ' ' ALA . 17.9 tt -72.28 -29.91 33.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-O 120.775 0.321 . . . . 0.0 111.477 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -80.22 -10.7 85.16 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.68 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -87.14 73.21 9.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.874 0.369 . . . . 0.0 110.635 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -133.02 128.13 35.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.687 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.48 127.81 26.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.167 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -91.17 102.91 15.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.655 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -90.88 104.07 16.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.558 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -84.93 76.64 10.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.567 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -90.95 101.0 13.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 50.4 mmtm . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.314 -0.85 . . . . 0.0 110.635 179.562 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.858 0.361 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . -72.62 143.65 34.24 Favored Glycine 0 CA--C 1.518 0.252 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.776 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . 0.439 ' O ' HG12 ' A' ' 657' ' ' ILE . 9.4 ptm180 -101.2 131.32 47.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.287 0.565 . . . . 0.0 111.188 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . 0.523 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 85.9 mt -124.43 132.6 71.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.682 -178.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 97.0 t -110.69 126.4 68.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.12 0.486 . . . . 0.0 110.552 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . 0.419 HD13 ' O ' ' A' ' 660' ' ' LEU . 58.2 tp -104.59 124.17 48.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.266 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 59.1 t -113.55 107.78 23.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.01 0.433 . . . . 0.0 110.463 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 34.6 t -162.04 139.79 8.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.555 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -74.96 -13.02 60.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.655 0.264 . . . . 0.0 111.321 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -86.73 106.74 17.86 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.949 0.404 . . . . 0.0 110.682 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 51.9 mp0 -65.62 -37.24 86.03 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -178.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -60.45 -44.14 96.14 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 87.3 m -66.5 -42.28 87.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.187 0.518 . . . . 0.0 110.192 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 626' ' ' SER . . . . . 0.417 ' HA ' ' CD2' ' A' ' 618' ' ' LEU . 68.5 m -62.47 -40.82 97.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.222 -179.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 92.1 m -60.56 -45.98 91.89 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 110.568 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 66.7 tp -63.34 -47.19 83.2 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.147 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 629' ' ' ILE . . . . . . . . . . . . . 37.4 mm -63.32 -45.63 97.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -178.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 630' ' ' CYS . . . . . 0.508 ' SG ' HG12 ' A' ' 640' ' ' VAL . 89.1 m -62.08 -42.7 99.48 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 111.577 0.214 . . . . 0.0 111.577 -178.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 56.5 m -64.46 -42.72 95.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.682 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 96.2 mt -62.81 -50.36 79.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 633' ' ' LEU . . . . . . . . . . . . . 85.8 mt -71.12 -40.15 71.62 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 634' ' ' THR . . . . . 0.653 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 94.3 m -63.92 -43.68 95.2 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -178.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 635' ' ' THR . . . . . . . . . . . . . 18.9 m -62.6 -36.73 83.66 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.947 0.403 . . . . 0.0 110.567 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -70.7 -8.29 50.98 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.452 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 108.04 6.14 32.36 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.455 -0.879 . . . . 0.0 113.681 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 638' ' ' TYR . . . . . 0.653 ' O ' ' HA ' ' A' ' 634' ' ' THR . 97.6 m-85 -96.47 149.56 21.6 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -102.2 112.29 24.92 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 640' ' ' VAL . . . . . 0.523 ' HA ' ' O ' ' A' ' 616' ' ' ILE . 58.0 t -110.68 130.62 63.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -178.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 641' ' ' ILE . . . . . . . . . . . . . 83.2 mt -119.3 126.08 75.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.083 -0.962 . . . . 0.0 108.634 177.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 642' ' ' TRP . . . . . . . . . . . . . 60.3 t90 -95.31 125.47 39.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.066 0.46 . . . . 0.0 111.238 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.41 137.12 53.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.667 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 16.3 t -75.73 144.97 11.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . 0.559 ' OD2' ' HA3' ' A' ' 668' ' ' GLY . 39.3 t0 -61.7 146.58 48.77 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -177.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 103.61 -5.91 48.34 Favored Glycine 0 C--N 1.335 0.523 0 CA-C-N 115.344 -0.844 . . . . 0.0 113.927 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -114.16 87.22 2.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 117.748 0.774 . . . . 0.0 112.749 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 85.2 t -71.68 -40.32 70.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.395 178.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 649' ' ' GLU . . . . . 0.451 ' OE1' ' HB2' ' B' ' 17' ' ' ASN . 96.5 mt-10 -59.13 -37.7 77.87 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.531 0.205 . . . . 0.0 110.599 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -35.49 81.0 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 177.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.07 -40.25 90.71 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.003 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -70.65 -39.38 73.67 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.425 178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -59.8 -39.64 85.68 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.12 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 90.2 mt -108.94 29.76 7.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.801 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 655' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -29.63 103.05 0.18 Allowed Pre-proline 0 N--CA 1.479 1.023 0 N-CA-C 113.923 1.082 . . . . 0.0 113.923 -178.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -86.61 171.88 7.05 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 123.615 2.877 . . . . 0.0 113.026 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 615' ' ' ARG . 43.8 pt -80.98 -21.22 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.613 0.72 . . . . 0.0 109.218 177.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -154.99 152.66 29.94 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.03 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 14.6 p -123.27 137.73 55.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.892 0.377 . . . . 0.0 110.343 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . 0.435 ' CD2' ' HB2' ' A' ' 689' ' ' PHE . 83.9 mt -114.08 128.14 56.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.321 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 75.9 mt -113.85 117.91 32.74 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 177.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -107.89 127.54 53.83 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -177.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . 0.441 ' HB3' ' HA ' ' A' ' 664' ' ' PRO . 77.4 mm-40 -81.2 160.2 66.04 Favored Pre-proline 0 CA--C 1.532 0.277 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.028 178.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 664' ' ' PRO . . . . . 0.441 ' HA ' ' HB3' ' A' ' 663' ' ' GLU . 93.0 Cg_endo -80.24 155.91 86.72 Favored 'Cis proline' 0 C--N 1.351 0.699 0 C-N-CA 124.204 -1.165 . . . . 0.0 113.803 -0.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -111.76 87.29 2.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.245 178.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 73.2 m -63.44 -39.94 95.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -129.33 126.15 38.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.24 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . 0.559 ' HA3' ' OD2' ' A' ' 645' ' ' ASP . . . 107.44 138.37 8.75 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.907 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -96.61 116.65 29.46 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.974 0.109 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 670' ' ' VAL . . . . . 0.427 ' O ' HG22 ' A' ' 674' ' ' VAL . 36.0 m -61.02 -33.44 55.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 120.52 0.2 . . . . 0.0 111.346 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -64.31 -38.05 89.66 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.695 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 54.9 tp10 -61.41 -45.21 95.28 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.338 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 673' ' ' LEU . . . . . 0.526 HD11 ' OD1' ' A' ' 645' ' ' ASP . 86.3 mt -63.67 -41.51 98.16 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.607 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 670' ' ' VAL . 54.0 t -61.36 -47.63 92.58 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.933 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -63.12 -44.18 96.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.686 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -64.83 -40.52 95.32 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.23 -39.27 93.61 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.794 -0.184 . . . . 0.0 111.366 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 -62.99 -37.17 86.07 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.132 0.492 . . . . 0.0 110.927 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -64.91 -37.51 87.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.612 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 14.7 mmp_? -87.84 -40.68 13.81 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.605 0.595 . . . . 0.0 112.605 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 73.6 m -126.61 145.75 50.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.822 0.344 . . . . 0.0 111.526 -179.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 72.4 p -72.81 154.74 91.09 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.633 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.83 -28.44 86.42 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.387 2.058 . . . . 0.0 113.261 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -76.72 -32.95 58.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.82 0.343 . . . . 0.0 110.622 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -72.15 -38.49 69.18 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.18 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 686' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -143.33 133.09 23.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.509 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -106.68 148.76 27.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.418 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 688' ' ' ILE . . . . . . . . . . . . . 65.2 mt -111.57 128.52 68.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.559 -178.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 689' ' ' PHE . . . . . 0.435 ' HB2' ' CD2' ' A' ' 660' ' ' LEU . 92.6 m-85 -129.12 146.58 51.03 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 34.3 pt -126.73 143.95 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -179.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 691' ' ' LEU . . . . . 0.505 ' HG ' ' HB ' ' A' ' 704' ' ' ILE . 6.0 mp -112.48 139.52 47.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.662 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 83.33 19.9 61.49 Favored Glycine 0 CA--C 1.516 0.1 0 C-N-CA 120.795 -0.717 . . . . 0.0 114.194 178.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 47.0 t -109.65 128.94 55.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 117.111 0.456 . . . . 0.0 110.674 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 29.8 tptp -63.4 -43.06 98.61 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.196 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . -115.39 177.69 17.34 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.318 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -103.17 113.3 26.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.729 0.3 . . . . 0.0 111.007 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -78.75 155.59 29.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.745 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -62.44 140.26 58.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.682 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 92.49 -5.9 77.55 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.139 -179.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 60.7 t -108.62 121.57 61.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.877 0.37 . . . . 0.0 110.365 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -67.32 -44.08 80.04 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.32 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 59.1 ttm-85 -149.64 144.93 26.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.781 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 37.0 p90 -116.33 148.41 40.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.989 0.423 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 704' ' ' ILE . . . . . 0.505 ' HB ' ' HG ' ' A' ' 691' ' ' LEU . 5.2 mp -119.43 100.44 49.67 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.99 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -72.87 152.97 52.9 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.771 2.314 . . . . 0.0 113.581 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 81.0 mt -94.71 150.19 37.57 Favored Pre-proline 0 N--CA 1.465 0.304 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.708 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 707' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.03 152.07 97.79 Favored 'Cis proline' 0 C--N 1.352 0.737 0 C-N-CA 123.768 -1.347 . . . . 0.0 112.42 -0.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 708' ' ' ILE . . . . . . . . . . . . . 33.5 pt -107.98 153.94 9.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.12 0.486 . . . . 0.0 111.592 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -113.44 146.42 35.32 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -53.21 -51.13 11.72 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.449 2.099 . . . . 0.0 113.634 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.32 -40.67 90.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.409 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 70.2 m -63.16 -46.91 84.95 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.034 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 713' ' ' PHE . . . . . 0.421 ' O ' HG22 ' A' ' 717' ' ' VAL . 80.0 t80 -60.33 -48.75 80.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.885 179.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 63.1 tp -60.41 -43.47 96.67 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.905 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -63.46 -42.26 98.63 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 121.115 -0.234 . . . . 0.0 111.14 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -65.12 -41.62 94.68 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.974 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 717' ' ' VAL . . . . . 0.492 ' O ' ' HG ' ' A' ' 721' ' ' LEU . 59.7 t -64.92 -45.46 94.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.963 179.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 90.6 m -60.89 -46.66 89.76 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.283 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.7 -37.81 87.49 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.451 178.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -63.21 -38.2 96.11 Favored Glycine 0 CA--C 1.519 0.318 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.549 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 721' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 717' ' ' VAL . 91.9 mt -77.88 -8.93 58.74 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 85.0 m -64.55 136.26 56.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 52.9 m 65.95 43.21 3.08 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.967 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 724' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.76 162.32 14.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.968 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -61.33 -39.33 90.14 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.884 0.373 . . . . 0.0 111.557 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 66.7 p -104.03 159.1 15.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.665 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 59.4 m -65.47 136.07 55.98 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.848 0.356 . . . . 0.0 111.284 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -155.93 156.24 34.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.236 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.873 179.502 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 120.998 0.428 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.96 73.68 80.78 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.22 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -58.26 -40.71 73.6 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.034 2.489 . . . . 0.0 113.399 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.13 47.23 2.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.874 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 43.4 mtm105 -127.79 34.84 4.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.537 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -83.61 87.09 7.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.336 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 71.4 p -128.83 158.56 38.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.671 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.436 ' HA ' ' O ' ' B' ' 69' ' ' LEU . . . -97.05 139.16 33.47 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 178.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 61.1 t -111.38 118.62 57.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.901 0.381 . . . . 0.0 111.436 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.9 mp -107.99 124.12 49.68 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.577 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -102.56 109.39 21.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.07 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 63.7 tp -98.3 120.48 38.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.209 0.528 . . . . 0.0 110.377 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -99.66 130.78 45.91 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.369 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.41 ' HA ' ' CG2' ' B' ' 62' ' ' THR . 22.5 m -133.39 167.14 27.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.788 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.13 130.5 35.53 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . 0.426 ' N ' HD13 ' B' ' 48' ' ' LEU . . . 76.97 -170.47 55.13 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.567 -0.742 . . . . 0.0 114.059 177.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.451 ' HB2' ' OE1' ' A' ' 649' ' ' GLU . 24.6 p-10 -116.44 24.58 11.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.253 -0.474 . . . . 0.0 110.603 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 67.6 p -70.68 153.82 94.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.744 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -63.22 -23.7 72.6 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.264 1.976 . . . . 0.0 112.264 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -62.28 -43.92 97.73 Favored 'General case' 0 N--CA 1.46 0.072 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 75.5 m -70.17 -39.1 75.5 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.141 178.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 60.1 t -65.05 -46.86 90.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.812 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 37.7 ttp-105 -65.44 -35.42 80.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.11 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.59 -40.83 84.33 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.148 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.426 ' O ' ' HB1' ' B' ' 29' ' ' ALA . 71.4 mt -61.82 -43.0 99.72 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.888 178.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.11 -41.1 95.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.008 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 92.4 m -64.67 -47.14 79.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.828 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 60.5 tp -65.33 -43.0 92.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.562 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.496 ' O ' ' HB2' ' B' ' 33' ' ' GLU . . . -61.26 -42.58 98.88 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -178.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -62.56 -41.68 99.06 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 91.9 mt -66.09 -45.89 89.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 -178.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.69 ' HB3' ' CE2' ' B' ' 40' ' ' TYR . 4.7 mp -86.75 -15.9 37.99 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -177.144 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.62 ' O ' ' HB3' ' B' ' 37' ' ' LYS . 88.2 tt0 -61.36 -40.52 94.61 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -179.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.577 ' O ' ' HG2' ' B' ' 37' ' ' LYS . 12.4 tppt? -96.53 -52.55 3.9 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -179.108 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -70.37 -38.59 74.77 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -178.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . 0.419 ' CD1' ' HG ' ' B' ' 32' ' ' LEU . 78.6 m-85 -109.93 25.26 11.99 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -177.061 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.62 ' HB3' ' O ' ' B' ' 33' ' ' GLU . 8.4 ptmm? -68.5 130.98 44.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.067 0.461 . . . . 0.0 112.002 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.92 0.86 90.53 Favored Glycine 0 CA--C 1.52 0.365 0 N-CA-C 114.818 0.687 . . . . 0.0 114.818 178.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 21.2 m -117.63 -20.3 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 118.174 0.987 . . . . 0.0 112.556 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . 0.69 ' CE2' ' HB3' ' B' ' 32' ' ' LEU . 1.4 p90 -133.15 153.4 51.56 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -179.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.09 146.98 44.65 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 175.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.73 138.24 45.37 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.643 -0.423 . . . . 0.0 111.861 -177.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -128.08 136.99 51.96 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 61.0 t -121.59 125.29 73.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -178.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 4.0 mp -125.82 134.38 66.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.399 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -95.15 110.66 22.59 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 34.9 m -63.96 -28.58 45.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -177.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.426 HD13 ' N ' ' B' ' 16' ' ' GLY . 86.1 mt -68.96 -36.62 78.11 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 49.8 mmtm -70.03 -38.66 75.93 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.651 0.262 . . . . 0.0 111.398 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.624 ' OD1' ' HG2' ' B' ' 52' ' ' GLN . 20.4 t-20 -140.8 87.25 11.32 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -62.74 -24.51 74.69 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 123.086 2.524 . . . . 0.0 114.571 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.624 ' HG2' ' OD1' ' B' ' 50' ' ' ASN . 24.4 pt20 -67.73 -26.4 66.13 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.14 -179.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 93.4 mt -66.0 -41.44 91.04 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.818 0.342 . . . . 0.0 110.524 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.45 -40.77 93.63 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.545 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.19 -37.61 87.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.708 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -65.34 -40.31 93.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.194 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -96.22 9.22 41.71 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 64.2 mttp 56.8 48.62 15.75 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 44.6 mm -92.61 110.02 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.85 0.357 . . . . 0.0 110.354 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 89.7 mt -110.42 6.89 22.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.784 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -143.57 158.37 43.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.665 0.269 . . . . 0.0 110.936 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' THR . . . . . 0.41 ' CG2' ' HA ' ' B' ' 14' ' ' VAL . 20.8 m -145.21 131.16 9.57 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.642 -0.253 . . . . 0.0 110.629 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -80.13 148.3 78.0 Favored 'Cis proline' 0 C--N 1.352 0.725 0 C-N-CA 124.7 -0.958 . . . . 0.0 112.934 -1.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 99.8 m -129.73 134.29 47.53 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.13 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 73.4 mt -99.24 125.5 44.85 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.42 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -114.71 136.07 53.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.346 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.547 ' O ' HG12 ' B' ' 73' ' ' VAL . 86.9 tttt -102.88 122.33 44.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.14 179.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 46.5 t -94.42 -59.29 3.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.864 0.364 . . . . 0.0 111.02 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.474 ' HB2' ' HA ' ' B' ' 70' ' ' PRO . 2.3 pp -160.21 160.54 26.48 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.543 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . 0.474 ' HA ' ' HB2' ' B' ' 69' ' ' LEU . 51.1 Cg_endo -67.98 148.82 82.79 Favored 'Cis proline' 0 C--N 1.353 0.777 0 C-N-CA 123.834 -1.319 . . . . 0.0 113.047 0.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' B' ' 70' ' ' PRO . 34.2 Cg_exo -61.33 165.35 13.09 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.415 2.744 . . . . 0.0 112.633 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -71.08 158.23 95.04 Favored 'Cis proline' 0 C--N 1.353 0.811 0 C-N-CA 124.47 -1.054 . . . . 0.0 114.824 2.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . 0.547 HG12 ' O ' ' B' ' 67' ' ' LYS . 95.3 t -85.64 119.88 34.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.439 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 -135.78 160.7 37.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 42.7 ptt85 -129.78 149.32 51.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.28 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 80.8 mt -114.02 121.74 66.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.956 0.408 . . . . 0.0 110.921 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.8 118.61 59.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.29 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 174.17 -173.84 46.14 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.22 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -85.56 102.69 13.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.069 0.461 . . . . 0.0 110.684 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.92 -15.98 63.63 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.409 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 83.9 p -65.59 -23.4 66.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.603 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.456 ' O ' HG23 ' B' ' 86' ' ' VAL . 61.9 t-20 -91.85 108.2 19.75 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.84 -36.97 80.49 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.387 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -57.02 -52.18 66.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.706 0.289 . . . . 0.0 111.515 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -64.82 -38.25 90.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.94 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 82' ' ' ASN . 77.4 t -61.54 -45.18 99.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.471 ' O ' ' HG2' ' B' ' 91' ' ' ARG . 64.8 tp -62.1 -46.01 90.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.279 178.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 87.1 mt -60.79 -47.52 92.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.634 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . 0.438 ' O ' HD12 ' B' ' 93' ' ' LEU . . . -63.51 -42.69 98.47 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -179.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -70.92 -37.25 72.89 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' B' ' 87' ' ' LEU . 56.0 mmm-85 -62.37 -38.89 91.31 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.622 0.248 . . . . 0.0 110.95 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.5 -39.89 95.64 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.548 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.438 HD12 ' O ' ' B' ' 89' ' ' ALA . 6.7 mp -66.23 -38.24 87.43 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.274 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.458 ' O ' HG21 ' B' ' 97' ' ' ILE . . . -60.93 -43.34 98.76 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.886 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -65.42 -40.9 93.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.977 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -66.83 -40.7 88.09 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.755 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.458 HG21 ' O ' ' B' ' 94' ' ' ALA . 9.7 tp -74.41 -28.43 22.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-O 120.59 0.233 . . . . 0.0 111.34 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -62.5 -38.33 96.15 Favored Glycine 0 C--N 1.335 0.477 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.487 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -87.88 70.67 9.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.051 0.453 . . . . 0.0 110.372 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -118.03 116.66 27.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.363 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 50.5 mmtm 53.84 41.5 32.03 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 123.684 0.615 . . . . 0.0 111.918 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -90.97 105.15 17.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.563 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -156.16 159.62 39.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.279 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -89.76 104.22 16.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.61 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -90.53 102.38 15.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.549 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 64.8 tttm . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.121 -0.942 . . . . 0.0 110.472 179.948 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.917 0.389 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . 175.18 -174.05 46.56 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.625 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -78.92 149.31 32.4 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.822 0.344 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . 0.588 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 49.1 mm -123.76 128.08 74.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.814 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 617' ' ' VAL . . . . . 0.454 ' CG2' ' HG3' ' A' ' 656' ' ' PRO . 22.3 m -120.48 146.33 25.51 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.034 178.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . 0.591 HD21 ' CH2' ' A' ' 642' ' ' TRP . 1.6 tt -126.49 129.34 48.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.97 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 61.2 t -114.91 112.18 38.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.961 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 36.9 t -170.56 154.2 4.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.147 179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -92.45 0.8 57.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.07 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -83.05 105.44 14.04 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.987 0.422 . . . . 0.0 111.472 -178.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 51.2 mp0 -65.4 -28.7 69.44 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.595 -0.729 . . . . 0.0 112.716 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -60.76 -41.6 95.77 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.695 0.283 . . . . 0.0 111.675 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 9.1 p -75.55 -19.48 59.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.895 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 626' ' ' SER . . . . . 0.653 ' HA ' ' CZ3' ' A' ' 642' ' ' TRP . 67.3 m -61.21 -44.12 97.78 Favored 'General case' 0 N--CA 1.462 0.127 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -178.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 39.3 m -85.1 -44.57 12.87 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 69.0 tp -61.03 -51.09 70.66 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -177.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 629' ' ' ILE . . . . . 0.42 ' O ' HG23 ' A' ' 629' ' ' ILE . 62.1 mt -72.19 -27.81 27.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 630' ' ' CYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 626' ' ' SER . 42.1 t -57.25 -50.6 72.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.284 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 90.0 p -68.02 -35.29 78.05 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.825 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 79.6 mt -61.2 -49.1 85.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 633' ' ' LEU . . . . . . . . . . . . . 5.5 mp -88.78 -39.12 14.14 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 -178.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 634' ' ' THR . . . . . 0.509 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 91.3 m -64.15 -42.22 96.87 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -177.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 635' ' ' THR . . . . . . . . . . . . . 78.8 p -68.36 -19.46 64.64 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -81.72 0.8 37.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.598 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 98.62 8.08 54.93 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.762 -0.733 . . . . 0.0 113.037 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 638' ' ' TYR . . . . . 0.509 ' O ' ' HA ' ' A' ' 634' ' ' THR . 13.0 m-30 -99.3 149.98 22.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.842 0.353 . . . . 0.0 110.559 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.8 108.66 19.96 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 640' ' ' VAL . . . . . 0.588 ' HA ' ' O ' ' A' ' 616' ' ' ILE . 58.0 t -101.39 126.85 55.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.331 0.586 . . . . 0.0 112.552 -178.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 641' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' B' ' 42' ' ' LEU . 85.1 mt -118.42 124.02 72.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.221 -0.9 . . . . 0.0 108.707 177.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 642' ' ' TRP . . . . . 0.653 ' CZ3' ' HA ' ' A' ' 626' ' ' SER . 12.2 t-105 -93.07 120.57 33.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.771 0.32 . . . . 0.0 110.527 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 84.6 mt -115.94 143.88 44.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.377 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 17.9 m -79.74 150.16 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.867 0.365 . . . . 0.0 110.417 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . 0.498 ' OD1' ' HA3' ' A' ' 668' ' ' GLY . 11.5 t70 -67.62 148.75 50.97 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -177.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 102.82 -11.09 56.09 Favored Glycine 0 C--N 1.335 0.485 0 CA-C-N 115.568 -0.742 . . . . 0.0 114.036 178.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -114.53 94.29 4.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 117.668 0.734 . . . . 0.0 112.768 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 93.1 t -70.77 -37.74 70.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.691 178.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 649' ' ' GLU . . . . . 0.457 ' OE1' ' HB2' ' B' ' 17' ' ' ASN . 98.2 mt-10 -58.19 -34.24 70.13 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.52 179.252 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 88.0 mmt-85 -61.97 -39.84 93.56 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 177.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.79 -40.95 88.32 Favored 'General case' 0 C--O 1.227 -0.122 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.371 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 89.5 mt -67.38 -40.93 85.72 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.979 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.13 89.79 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.358 0.599 . . . . 0.0 111.362 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 87.5 mt -108.93 30.06 6.89 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.561 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 655' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -34.13 101.52 0.2 Allowed Pre-proline 0 N--CA 1.476 0.845 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -178.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 656' ' ' PRO . . . . . 0.454 ' HG3' ' CG2' ' A' ' 617' ' ' VAL . 41.8 Cg_endo -88.92 177.81 2.89 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 123.861 3.041 . . . . 0.0 112.394 179.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 43.1 pt -83.34 -22.02 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.272 0.558 . . . . 0.0 109.658 177.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -154.49 151.48 28.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.481 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 29.6 m -120.12 143.75 30.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.825 0.345 . . . . 0.0 110.504 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . 0.471 ' HB2' ' HG ' ' A' ' 618' ' ' LEU . 84.1 mt -115.63 122.83 46.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.487 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 74.1 mt -116.6 127.09 54.15 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -109.37 117.11 33.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.864 0.364 . . . . 0.0 111.828 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . 0.435 ' HB3' ' HA ' ' A' ' 664' ' ' PRO . 81.3 mm-40 -80.87 159.71 68.1 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.983 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 664' ' ' PRO . . . . . 0.435 ' HA ' ' HB3' ' A' ' 663' ' ' GLU . 68.7 Cg_endo -83.73 158.21 71.82 Favored 'Cis proline' 0 C--N 1.352 0.735 0 C-N-CA 124.219 -1.159 . . . . 0.0 113.737 -0.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 665' ' ' PHE . . . . . 0.45 ' CD1' ' HB ' ' A' ' 670' ' ' VAL . 5.3 m-30 -102.8 90.93 3.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.466 178.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 70.6 m -64.61 -39.87 94.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.112 0.482 . . . . 0.0 110.404 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -112.81 121.02 43.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.251 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . 0.498 ' HA3' ' OD1' ' A' ' 645' ' ' ASP . . . 95.95 149.25 25.39 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.771 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -95.95 113.61 25.25 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 122.832 -0.216 . . . . 0.0 110.635 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 670' ' ' VAL . . . . . 0.45 ' HB ' ' CD1' ' A' ' 665' ' ' PHE . 7.2 p -58.99 -37.52 68.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 671' ' ' GLN . . . . . 0.447 ' O ' HG23 ' A' ' 674' ' ' VAL . 97.3 mt-30 -64.48 -39.56 94.03 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.837 0.351 . . . . 0.0 110.633 179.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 55.0 tp10 -65.91 -43.33 88.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.367 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 62.3 tp -62.31 -45.88 91.26 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.026 -178.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 671' ' ' GLN . 34.2 m -67.21 -33.29 61.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.115 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -61.02 -45.72 93.64 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.07 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -62.46 -40.12 95.59 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.252 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.76 -40.77 98.3 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.95 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -64.01 -38.66 91.9 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.16 0.505 . . . . 0.0 110.947 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.13 -37.81 84.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.337 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 15.1 mmp_? -87.83 -38.99 15.22 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 72.7 m -126.77 146.01 50.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.162 0.506 . . . . 0.0 112.232 -178.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 63.5 p -76.33 156.39 83.57 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.193 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.18 -29.36 88.89 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.388 2.059 . . . . 0.0 113.241 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -75.39 -26.16 58.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.792 0.33 . . . . 0.0 110.869 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -89.13 -37.47 15.04 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.306 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 686' ' ' LEU . . . . . . . . . . . . . 60.8 tp -136.6 126.77 26.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -104.49 148.14 26.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 688' ' ' ILE . . . . . . . . . . . . . 2.5 mp -114.54 120.3 63.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.175 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 689' ' ' PHE . . . . . 0.402 ' HA ' ' O ' ' A' ' 702' ' ' ARG . 97.4 m-85 -116.77 134.29 54.97 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 84.4 mt -122.91 130.75 74.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.293 0.568 . . . . 0.0 111.732 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.89 135.67 37.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.983 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 81.58 20.08 64.72 Favored Glycine 0 CA--C 1.519 0.281 0 C-N-CA 120.703 -0.761 . . . . 0.0 113.743 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 88.6 p -118.45 153.08 34.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 117.047 0.424 . . . . 0.0 110.876 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -148.91 144.19 26.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.021 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . 129.22 -9.11 6.27 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.485 -0.864 . . . . 0.0 113.395 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 55.2 t30 55.2 52.21 11.96 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 120.939 0.4 . . . . 0.0 111.42 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -68.96 148.94 49.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.382 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -69.84 150.58 46.67 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.079 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 92.59 -5.57 77.14 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.935 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 61.7 t -115.78 123.99 71.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -64.36 -46.24 84.27 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.724 0.297 . . . . 0.0 111.474 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 702' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 689' ' ' PHE . 41.0 ttm180 -161.18 147.89 14.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.6 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -114.41 148.65 37.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.287 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 704' ' ' ILE . . . . . 0.418 HD13 HG22 ' A' ' 704' ' ' ILE . 25.9 mm -102.94 115.4 64.21 Favored Pre-proline 0 C--O 1.235 0.333 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -72.44 154.04 55.56 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.827 2.352 . . . . 0.0 113.089 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . 0.445 ' HA ' ' C ' ' A' ' 707' ' ' PRO . 5.1 mp -112.41 159.34 34.38 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.543 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 707' ' ' PRO . . . . . 0.445 ' C ' ' HA ' ' A' ' 706' ' ' LEU . 39.0 Cg_endo -65.57 149.33 75.95 Favored 'Cis proline' 0 C--N 1.354 0.86 0 C-N-CA 123.904 -1.29 . . . . 0.0 113.184 1.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 708' ' ' ILE . . . . . . . . . . . . . 14.4 tt -82.06 133.55 28.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.897 -178.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -118.31 148.03 42.99 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -54.54 -58.26 1.36 Allowed 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.766 2.311 . . . . 0.0 114.423 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -71.33 -29.68 65.3 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 68.7 m -64.17 -47.58 79.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.269 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 713' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -61.49 -49.66 75.86 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.205 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 66.4 tp -61.89 -46.63 88.56 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -65.05 -41.65 94.99 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -178.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -64.8 -42.69 94.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.634 0.254 . . . . 0.0 111.03 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 717' ' ' VAL . . . . . . . . . . . . . 71.8 t -67.47 -44.94 86.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.219 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 90.8 m -60.94 -46.95 88.62 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.419 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -37.89 88.65 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.804 179.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -63.85 -38.52 96.25 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.581 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 97.8 mt -75.25 -9.48 58.59 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 82.1 p -65.39 -30.28 71.08 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.935 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 88.0 p -68.46 -36.46 79.03 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.656 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 724' ' ' LEU . . . . . . . . . . . . . 2.3 tt -64.32 -46.89 81.53 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.01 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -158.57 149.73 20.65 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 9.7 t -148.9 151.38 34.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.646 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 93.5 p -88.55 -11.3 46.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.445 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -149.25 151.65 34.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.973 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.779 -179.932 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ptm . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.57 0.224 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.77 65.06 6.86 Favored Pre-proline 0 N--CA 1.471 0.613 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.277 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_exo -59.66 141.05 96.4 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.726 2.284 . . . . 0.0 112.617 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 tt -92.13 133.59 35.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.302 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.0 174.57 12.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.659 -179.129 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.52 142.28 55.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.032 0.444 . . . . 0.0 110.897 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 79.3 p -123.21 159.98 27.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.553 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.55 143.92 26.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.712 0.291 . . . . 0.0 110.425 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 59.1 t -119.12 125.91 74.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.99 0.424 . . . . 0.0 111.153 -178.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 81.7 mt -98.11 129.69 44.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.892 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp -100.9 109.35 21.29 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.358 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 65.9 tp -101.17 113.79 27.15 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.025 0.44 . . . . 0.0 110.475 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' TYR . . . . . 0.534 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 86.5 m-85 -98.77 127.61 44.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.069 178.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 27.0 m -129.7 163.52 34.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.52 121.25 26.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 111.638 -179.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . 0.423 ' N ' HD12 ' B' ' 48' ' ' LEU . . . 80.6 -176.6 54.62 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.078 -0.582 . . . . 0.0 113.293 178.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.457 ' HB2' ' OE1' ' A' ' 649' ' ' GLU . 24.3 p-10 -113.54 30.56 7.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.977 0.418 . . . . 0.0 110.814 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 61.4 p -70.22 156.87 91.15 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.275 -179.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -54.59 -33.25 78.18 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 123.012 2.475 . . . . 0.0 113.018 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -60.18 -42.31 94.74 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.019 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 99.6 p -71.39 -37.91 71.52 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.036 0.446 . . . . 0.0 110.527 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 74.6 t -67.04 -47.07 83.16 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.881 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 91.5 mtm180 -67.03 -35.22 79.42 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.443 ' O ' HD11 ' B' ' 28' ' ' LEU . . . -59.43 -39.53 83.81 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.629 0.252 . . . . 0.0 110.824 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 81.2 mt -60.93 -44.09 97.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.945 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -64.65 -40.09 94.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.775 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 93.0 m -63.32 -47.0 84.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.056 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.443 HD11 ' O ' ' B' ' 24' ' ' ALA . 6.8 mp -69.94 -39.24 76.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.695 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.43 96.07 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.843 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -62.52 -41.36 98.8 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.896 0.379 . . . . 0.0 111.115 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 97.7 mt -69.59 -44.65 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.354 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 86.9 mt -68.85 -37.12 78.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.681 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.452 ' O ' ' HB2' ' B' ' 37' ' ' LYS . 88.7 tt0 -62.67 -42.1 99.43 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -98.28 -62.41 1.25 Allowed 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -178.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -66.44 -39.67 89.04 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 -177.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.94 37.85 3.17 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -177.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' B' ' 33' ' ' GLU . 40.4 ttpt -70.0 125.65 27.37 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -178.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.12 14.16 82.09 Favored Glycine 0 C--N 1.334 0.454 0 CA-C-N 115.701 -0.681 . . . . 0.0 114.321 178.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.8 t -121.83 -48.21 2.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-N 117.615 0.707 . . . . 0.0 112.462 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -121.73 141.17 51.44 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -177.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.65 155.28 23.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.877 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 641' ' ' ILE . 62.6 tp -118.89 133.73 55.64 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.473 ' HG3' ' HB3' ' A' ' 642' ' ' TRP . 87.8 tttt -122.58 130.6 53.18 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 177.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 59.6 t -116.09 126.69 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.2 mp -124.61 134.56 66.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.422 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -91.33 111.8 23.45 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 35.1 m -63.85 -29.21 46.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -178.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.423 HD12 ' N ' ' B' ' 16' ' ' GLY . 85.6 mt -67.34 -37.97 84.13 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.931 -0.307 . . . . 0.0 111.441 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.45 -39.56 70.9 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.33 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.407 ' OD1' ' HG ' ' B' ' 53' ' ' LEU . 32.6 t-20 -136.75 86.11 22.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 179.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -67.52 -17.53 48.64 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.927 2.418 . . . . 0.0 113.391 -179.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.527 ' O ' ' HG2' ' B' ' 56' ' ' GLU . 4.5 mt-30 -66.11 -36.81 84.14 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.857 0.361 . . . . 0.0 110.352 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . 0.407 ' HG ' ' OD1' ' B' ' 50' ' ' ASN . 85.0 mt -64.16 -41.3 97.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.135 -179.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.85 -39.81 94.16 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.963 0.411 . . . . 0.0 110.797 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -65.83 -32.12 73.46 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.377 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' B' ' 52' ' ' GLN . 79.3 mm-40 -64.9 -38.56 91.39 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.148 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -99.13 6.97 46.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.117 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt 55.99 43.5 27.11 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.277 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 88.8 mt -109.86 121.04 62.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.862 0.363 . . . . 0.0 111.043 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.8 mp -118.19 12.65 13.58 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.421 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -128.67 140.45 51.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.644 0.259 . . . . 0.0 110.969 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 73.6 p -143.41 149.71 48.79 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.051 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . 0.534 ' HA ' ' O ' ' B' ' 13' ' ' TYR . 88.7 Cg_endo -80.14 142.91 63.84 Favored 'Cis proline' 0 C--N 1.35 0.612 0 C-N-CA 123.554 -1.436 . . . . 0.0 112.615 -1.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 23.9 p -137.37 156.22 48.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.893 0.378 . . . . 0.0 111.588 179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 83.5 mt -108.97 128.69 55.16 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.774 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.74 134.92 54.22 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.537 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.44 ' O ' ' HA ' ' B' ' 73' ' ' VAL . 86.5 tttt -101.29 118.07 36.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.872 178.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 61.8 t -112.23 -57.75 3.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.892 0.377 . . . . 0.0 110.671 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 89.2 mt -129.31 132.36 24.24 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -77.24 159.97 94.71 Favored 'Cis proline' 0 C--N 1.348 0.507 0 C-N-CA 123.579 -1.425 . . . . 0.0 112.481 -0.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -65.09 165.93 20.3 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 123.226 2.618 . . . . 0.0 112.312 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -76.98 163.42 89.53 Favored 'Cis proline' 0 C--N 1.354 0.82 0 C-N-CA 124.342 -1.108 . . . . 0.0 114.581 1.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . 0.44 ' HA ' ' O ' ' B' ' 67' ' ' LYS . 83.4 t -84.23 122.17 37.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.162 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -150.7 150.31 30.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.104 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 31.3 ptt-85 -116.92 149.51 40.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.944 0.402 . . . . 0.0 111.159 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 81.3 mt -115.51 124.95 72.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.435 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 81.1 mt -114.61 124.93 71.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.113 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 179.38 -168.03 38.4 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.125 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -86.42 98.8 11.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.868 0.366 . . . . 0.0 110.39 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . 0.4 HD23 ' O ' ' B' ' 63' ' ' PRO . 2.6 mm? -73.39 -21.14 60.58 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.403 -179.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 79.9 p -71.74 -16.61 62.22 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.795 0.331 . . . . 0.0 111.225 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.445 ' O ' HG21 ' B' ' 86' ' ' VAL . 50.6 t-20 -92.07 110.32 21.69 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -60.22 -38.24 82.78 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.973 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.32 -44.38 92.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.605 0.24 . . . . 0.0 110.94 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -37.67 73.67 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.546 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.445 HG21 ' O ' ' B' ' 82' ' ' ASN . 79.1 t -62.09 -43.57 97.9 Favored 'Isoleucine or valine' 0 C--O 1.231 0.109 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 22.2 mt -61.69 -41.08 97.09 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.41 178.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 92.6 mt -61.59 -48.8 87.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.686 0.279 . . . . 0.0 111.06 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.99 -42.68 89.47 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 7.3 mp -73.38 -35.98 65.99 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 45.3 tpt85 -61.35 -39.21 89.76 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 120.866 0.365 . . . . 0.0 110.393 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.43 -37.9 87.63 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.224 178.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 87.1 mt -61.8 -37.12 83.21 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.594 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.499 ' O ' HG23 ' B' ' 97' ' ' ILE . . . -61.13 -41.04 96.0 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.169 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.95 -40.23 94.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.564 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -66.38 -41.48 89.36 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.721 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.499 HG23 ' O ' ' B' ' 94' ' ' ALA . 8.5 tp -73.87 -28.74 24.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 120.766 0.317 . . . . 0.0 111.474 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -80.49 -9.81 86.03 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.837 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -85.53 72.74 10.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.92 0.39 . . . . 0.0 110.535 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -137.3 129.67 29.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.455 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -95.49 122.46 38.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.422 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -91.01 102.73 15.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.626 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -90.45 100.91 13.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.485 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -91.04 102.63 15.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.573 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -157.08 160.12 38.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.24 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt . . . . . 0 C--O 1.251 1.135 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.834 -179.961 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.929 0.395 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . -138.1 154.93 23.07 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.7 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -86.76 132.99 33.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.63 0.252 . . . . 0.0 110.655 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . 0.471 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 95.7 mt -126.06 127.48 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.19 178.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 87.8 t -110.94 125.0 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.211 0.529 . . . . 0.0 110.595 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . 0.424 HD11 ' O ' ' A' ' 660' ' ' LEU . 60.3 tp -108.2 121.98 45.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.068 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 58.7 t -114.63 108.22 24.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.014 0.435 . . . . 0.0 110.396 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 40.7 t -158.05 138.06 12.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.879 179.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -75.12 -14.76 60.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.403 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -90.21 105.65 17.95 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -67.26 -30.14 69.95 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -178.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.27 92.57 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.895 0.379 . . . . 0.0 111.429 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 85.7 m -69.34 -41.17 76.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.137 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 626' ' ' SER . . . . . 0.414 ' HA ' ' CD2' ' A' ' 618' ' ' LEU . 66.8 m -61.67 -42.12 98.48 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.028 -179.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 88.9 m -63.04 -44.32 96.21 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.942 0.401 . . . . 0.0 110.578 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 66.7 tp -62.33 -47.65 83.31 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.031 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 629' ' ' ILE . . . . . . . . . . . . . 37.4 mm -63.0 -42.97 98.71 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.501 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 51.1 t -59.81 -47.86 84.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.876 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 86.8 p -62.74 -37.24 85.78 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.53 -45.69 97.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 CA-C-O 120.841 0.353 . . . . 0.0 111.765 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 633' ' ' LEU . . . . . . . . . . . . . 1.1 mp -85.05 -35.85 21.61 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -178.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 634' ' ' THR . . . . . 0.625 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 91.0 m -62.46 -45.24 93.97 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -178.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 635' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.52 -8.31 55.89 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 122.015 -0.428 . . . . 0.0 111.604 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -87.32 4.88 41.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.397 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 101.26 -1.54 54.2 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.962 -0.637 . . . . 0.0 113.097 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 638' ' ' TYR . . . . . 0.625 ' O ' ' HA ' ' A' ' 634' ' ' THR . 88.6 m-85 -99.93 152.61 19.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.841 0.353 . . . . 0.0 110.874 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -106.04 111.58 24.27 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 640' ' ' VAL . . . . . 0.471 ' HA ' ' O ' ' A' ' 616' ' ' ILE . 57.7 t -99.07 129.31 49.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -178.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 641' ' ' ILE . . . . . . . . . . . . . 93.9 mt -117.25 124.32 72.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.144 177.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 642' ' ' TRP . . . . . 0.459 ' HB3' ' CD ' ' B' ' 43' ' ' LYS . 73.3 t90 -93.28 115.5 28.09 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 61.4 tp -115.07 137.36 52.09 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.735 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 16.7 m -74.12 145.13 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -63.91 152.12 40.7 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -177.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 103.33 -10.29 54.18 Favored Glycine 0 C--N 1.335 0.518 0 CA-C-N 115.465 -0.789 . . . . 0.0 114.131 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -114.56 102.73 10.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 117.842 0.821 . . . . 0.0 113.199 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 96.1 t -83.81 -35.41 11.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.455 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -58.98 -38.56 79.42 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.755 0.312 . . . . 0.0 110.249 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -63.42 -37.66 88.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.041 177.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 87.6 mt -64.25 -41.09 97.13 Favored 'General case' 0 C--O 1.227 -0.117 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.002 178.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 87.6 mt -68.31 -39.93 81.88 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.448 178.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.5 93.68 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.56 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 86.2 mt -108.41 29.76 7.07 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.158 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 655' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -29.62 101.56 0.15 Allowed Pre-proline 0 N--CA 1.475 0.805 0 O-C-N 124.468 1.105 . . . . 0.0 113.868 -178.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -87.35 171.76 6.27 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 123.685 2.923 . . . . 0.0 112.817 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 47.0 pt -81.08 -24.26 10.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.482 0.658 . . . . 0.0 109.433 177.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -158.32 152.39 24.0 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.413 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 19.2 m -121.94 145.63 28.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.794 0.331 . . . . 0.0 110.323 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . 0.424 ' O ' HD11 ' A' ' 618' ' ' LEU . 81.3 mt -118.43 125.34 49.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 70.8 mt -116.31 128.26 55.4 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 178.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -111.93 126.92 55.64 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -178.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . 0.436 ' HB3' ' HA ' ' A' ' 664' ' ' PRO . 94.9 mt-10 -92.03 160.49 35.57 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.781 178.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 664' ' ' PRO . . . . . 0.436 ' HA ' ' HB3' ' A' ' 663' ' ' GLU . 90.6 Cg_endo -81.36 158.28 82.55 Favored 'Cis proline' 0 C--N 1.353 0.815 0 C-N-CA 124.57 -1.013 . . . . 0.0 113.472 -0.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 665' ' ' PHE . . . . . 0.543 ' CD2' HG23 ' A' ' 670' ' ' VAL . 39.6 p90 -117.32 128.66 55.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.64 179.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 79.2 p -99.61 -23.42 15.06 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.037 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -129.03 137.31 51.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.616 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 88.49 143.32 9.04 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.51 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 669' ' ' ASP . . . . . 0.652 ' O ' ' HG2' ' A' ' 672' ' ' GLU . 34.0 t70 -96.92 111.38 23.61 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 122.537 -0.39 . . . . 0.0 110.194 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 670' ' ' VAL . . . . . 0.543 HG23 ' CD2' ' A' ' 665' ' ' PHE . 54.5 t -60.76 -40.64 85.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.734 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -60.93 -39.41 89.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.349 -0.387 . . . . 0.0 112.039 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . 0.652 ' HG2' ' O ' ' A' ' 669' ' ' ASP . 10.3 pt-20 -66.73 -35.3 79.79 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.849 0.357 . . . . 0.0 110.144 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 55.6 tp -66.84 -44.82 80.05 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.207 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 68.1 t -62.18 -45.84 97.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.746 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -59.41 -45.54 91.23 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.489 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . 0.481 ' O ' ' HG2' ' A' ' 680' ' ' ARG . 76.9 mt-30 -66.18 -41.16 90.66 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.84 -41.1 97.89 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -68.17 -20.26 64.86 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -92.55 -16.95 25.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.686 0.279 . . . . 0.0 111.196 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 680' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 676' ' ' GLN . 41.7 mmt180 -89.5 -40.76 12.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.424 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 74.2 m -131.48 154.86 48.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.74 0.305 . . . . 0.0 111.217 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 58.6 p -75.03 154.14 86.62 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.419 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -61.62 -28.41 82.68 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.374 2.049 . . . . 0.0 113.306 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -73.52 -29.61 62.58 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.81 0.338 . . . . 0.0 110.763 179.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -88.47 -37.55 15.7 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.275 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 686' ' ' LEU . . . . . . . . . . . . . 62.7 tp -136.73 123.24 20.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.12 0.486 . . . . 0.0 111.357 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 13.2 mtmm -109.45 148.52 31.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.702 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 688' ' ' ILE . . . . . . . . . . . . . 78.5 mt -115.19 124.79 72.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.979 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -124.06 142.92 50.77 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.258 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 91.7 mt -120.41 129.25 75.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.007 0.432 . . . . 0.0 111.163 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 7.8 mp -94.88 127.23 40.76 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 124.81 166.21 12.34 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.543 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 91.2 p -73.56 158.0 35.66 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.471 0.136 . . . . 0.0 110.965 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 55.04 40.68 32.06 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 123.46 0.475 . . . . 0.0 111.38 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . -99.1 15.19 60.77 Favored Glycine 0 CA--C 1.518 0.229 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.868 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -83.63 93.82 7.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.942 0.401 . . . . 0.0 110.915 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -126.29 160.2 31.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.13 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -66.84 141.72 57.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.398 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 85.21 3.07 87.56 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.331 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 65.1 t -110.5 125.57 67.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -65.26 -43.24 91.94 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 46.6 ttt85 -168.27 161.42 12.17 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.81 0.338 . . . . 0.0 111.502 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -118.66 149.48 41.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.066 178.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 5.0 mm -106.53 107.59 60.37 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.932 -179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -61.14 143.74 98.87 Favored 'Trans proline' 0 N--CA 1.478 0.582 0 C-N-CA 123.142 2.561 . . . . 0.0 113.286 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 88.4 mt -103.2 153.82 38.11 Favored Pre-proline 0 N--CA 1.466 0.36 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.438 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 707' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -71.09 151.17 94.52 Favored 'Cis proline' 0 C--N 1.354 0.836 0 C-N-CA 124.571 -1.012 . . . . 0.0 112.73 -1.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 708' ' ' ILE . . . . . . . . . . . . . 34.2 pt -107.12 139.21 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.213 0.53 . . . . 0.0 111.91 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -120.6 151.64 54.43 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 177.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -51.03 -41.87 55.0 Favored 'Trans proline' 0 N--CA 1.479 0.649 0 C-N-CA 123.143 2.562 . . . . 0.0 114.505 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.3 -39.55 83.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.642 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 40.1 m -88.55 -41.61 12.59 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 713' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -60.05 -49.48 77.48 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . 0.474 ' O ' HG12 ' A' ' 717' ' ' VAL . 63.8 tp -62.97 -45.55 91.92 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -66.17 -40.7 90.67 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.656 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -64.72 -42.61 95.12 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.589 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 717' ' ' VAL . . . . . 0.522 ' O ' ' HG ' ' A' ' 721' ' ' LEU . 8.9 p -70.02 -36.51 68.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.941 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 95.3 m -62.61 -45.42 92.97 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.862 0.363 . . . . 0.0 110.792 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 38.9 mmt -62.71 -39.28 93.53 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.064 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -67.94 -21.94 73.68 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.747 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 721' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 717' ' ' VAL . 94.1 mt -91.37 -1.5 57.59 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 67.3 p -69.2 -26.8 65.01 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 121.026 -0.27 . . . . 0.0 111.231 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 90.5 p -65.58 -23.99 66.97 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.743 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 724' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.3 4.45 41.67 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.124 0.488 . . . . 0.0 110.648 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . 63.77 54.05 1.88 Allowed 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 96.3 m -119.58 125.98 50.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.752 0.311 . . . . 0.0 110.733 178.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 87.2 p -83.55 168.76 16.12 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.383 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -135.81 150.3 49.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.68 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.973 -179.896 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ptm . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 121.073 0.463 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.86 123.43 85.2 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.032 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -57.35 -36.53 98.89 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 123.007 2.471 . . . . 0.0 113.166 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 mp -109.46 169.49 8.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.351 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 66.85 26.18 9.38 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.573 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.97 95.59 3.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.313 179.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 80.9 p -128.26 156.49 42.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.886 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -102.25 142.88 32.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.072 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.5 t -112.74 119.12 59.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -178.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 82.9 mt -108.05 129.88 55.11 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.855 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -102.69 136.66 42.11 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.897 0.379 . . . . 0.0 110.942 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 66.4 tp -124.51 120.12 31.09 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -103.81 128.61 51.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.997 178.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.4 m -132.94 164.92 33.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.817 -179.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -142.07 143.54 33.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 111.542 -178.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.93 -178.08 53.74 Favored Glycine 0 N--CA 1.452 -0.281 0 CA-C-N 115.842 -0.617 . . . . 0.0 113.135 178.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -122.15 21.06 10.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.797 0.332 . . . . 0.0 110.916 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 64.6 p -71.09 155.2 93.54 Favored Pre-proline 0 C--O 1.235 0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.5 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -55.56 -34.45 89.95 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 123.283 2.655 . . . . 0.0 113.277 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -60.48 -42.63 96.68 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.886 0.374 . . . . 0.0 110.63 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 67.5 m -68.17 -39.89 82.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.506 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 75.9 t -67.74 -44.25 85.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.317 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' B' ' 23' ' ' ARG . 37.6 ttp-105 -64.4 -30.46 71.5 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.883 -179.291 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.87 -40.67 85.08 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.854 -0.157 . . . . 0.0 110.99 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.441 ' O ' ' HB3' ' B' ' 29' ' ' ALA . 59.8 mt -61.82 -43.05 99.62 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.716 0.294 . . . . 0.0 110.73 178.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -64.36 -41.19 96.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.037 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 89.5 m -63.82 -47.83 79.25 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.913 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 86.5 mt -66.95 -39.96 87.42 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.181 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.55 ' O ' ' HG2' ' B' ' 33' ' ' GLU . . . -61.28 -40.02 92.57 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.27 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -59.97 -43.1 95.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.979 0.419 . . . . 0.0 110.754 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 95.6 mt -69.59 -43.23 80.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.737 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.452 ' HA ' ' HB2' ' B' ' 36' ' ' PHE . 95.1 mt -66.6 -38.36 86.83 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.364 -178.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' B' ' 29' ' ' ALA . 78.4 mm-40 -62.71 -38.23 89.64 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -178.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -88.51 -52.07 5.37 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 114.79 1.404 . . . . 0.0 114.79 -177.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -96.29 -14.69 22.42 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -176.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . 0.522 ' HD2' ' CD1' ' B' ' 40' ' ' TYR . 86.0 m-85 -120.33 22.54 11.29 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -177.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' B' ' 33' ' ' GLU . 8.0 ptmm? -67.1 120.37 13.58 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -178.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.99 1.35 90.27 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 115.203 0.841 . . . . 0.0 115.203 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 2.6 m -122.53 -27.6 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 118.251 1.026 . . . . 0.0 113.255 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . 0.522 ' CD1' ' HD2' ' B' ' 36' ' ' PHE . 45.7 m-85 -124.42 137.91 54.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.887 0.375 . . . . 0.0 111.874 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.98 151.43 30.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.22 178.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 63.4 tp -112.11 131.81 55.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.091 0.472 . . . . 0.0 112.117 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.459 ' CD ' ' HB3' ' A' ' 642' ' ' TRP . 48.9 mmtm -114.0 129.76 56.58 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 178.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 60.7 t -116.92 122.78 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -178.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.0 mp -123.56 132.94 70.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.704 179.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -92.78 112.62 24.64 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.761 0.315 . . . . 0.0 110.957 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 66.6 t -65.82 -42.3 91.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.145 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.12 -40.71 96.84 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -178.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -70.2 -38.59 75.35 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.806 0.298 . . . . 0.0 111.806 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.519 ' OD1' ' HG2' ' B' ' 52' ' ' GLN . 10.8 t-20 -138.23 85.83 18.01 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 179.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -62.54 -24.64 75.34 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 123.21 2.606 . . . . 0.0 114.162 -178.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.519 ' HG2' ' OD1' ' B' ' 50' ' ' ASN . 26.2 pt20 -67.4 -28.06 67.61 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.104 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 93.5 mt -66.59 -41.45 88.46 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.873 0.368 . . . . 0.0 110.316 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.09 -40.06 94.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.462 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.31 -36.67 84.47 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.238 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' B' ' 52' ' ' GLN . 96.9 mt-10 -63.97 -38.4 90.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.382 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -98.87 14.96 27.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.524 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 64.2 mttp 56.65 45.28 22.35 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 46.2 mm -104.86 117.9 51.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.7 mp -120.16 9.29 11.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.637 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -148.84 155.7 41.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.804 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 67.5 p -141.51 149.08 52.97 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.8 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -80.3 145.81 72.26 Favored 'Cis proline' 0 C--N 1.349 0.576 0 C-N-CA 123.625 -1.406 . . . . 0.0 112.596 -1.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 97.3 m -128.22 130.73 48.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.874 0.369 . . . . 0.0 111.256 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 61.9 tp -100.0 122.65 43.22 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.779 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -111.56 133.73 53.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.212 0.529 . . . . 0.0 112.255 -178.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.512 ' O ' ' HA ' ' B' ' 73' ' ' VAL . 85.1 tttt -100.23 108.06 20.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.718 178.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.426 HG13 ' N ' ' B' ' 69' ' ' LEU . 5.9 p -102.05 -49.05 10.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.289 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.426 ' N ' HG13 ' B' ' 68' ' ' VAL . 86.1 mt -134.37 131.8 20.69 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.301 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -77.75 163.84 87.18 Favored 'Cis proline' 0 CA--C 1.533 0.434 0 C-N-CA 123.922 -1.283 . . . . 0.0 112.425 -0.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -72.31 166.2 30.44 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.783 2.322 . . . . 0.0 112.198 178.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.12 160.78 95.17 Favored 'Cis proline' 0 C--N 1.354 0.848 0 C-N-CA 124.431 -1.07 . . . . 0.0 114.411 1.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . 0.512 ' HA ' ' O ' ' B' ' 67' ' ' LYS . 66.7 t -85.43 116.96 29.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.38 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -137.13 162.09 34.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.188 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 35.2 ptt-85 -128.69 146.54 50.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.96 0.409 . . . . 0.0 110.729 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 80.4 mt -117.09 121.09 66.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.438 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 82.9 mt -117.97 124.73 73.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.873 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 172.53 -165.55 38.07 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.182 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -85.21 98.36 10.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.771 0.32 . . . . 0.0 110.486 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 91.2 mt -88.84 -8.8 53.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 70.2 m -66.15 -31.84 72.93 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.324 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -82.2 110.55 17.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.095 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . 0.47 ' HA ' ' CG1' ' B' ' 86' ' ' VAL . 61.3 ttp180 -60.06 -36.77 78.05 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.965 -178.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.42 -43.28 88.59 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.31 -42.39 15.84 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -179.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.47 ' CG1' ' HA ' ' B' ' 83' ' ' ARG . 7.4 p -63.2 -32.19 55.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -178.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 66.0 tp -62.12 -46.12 90.43 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 120.897 0.379 . . . . 0.0 110.134 178.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.02 -47.19 93.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.592 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.57 -42.86 99.81 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -178.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . 0.452 ' O ' ' HZ ' ' B' ' 36' ' ' PHE . 4.6 mp -73.12 -38.29 66.36 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -60.26 -34.78 74.2 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.739 0.304 . . . . 0.0 111.18 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . 0.624 ' O ' ' HG2' ' B' ' 95' ' ' GLU . 89.5 mt -60.29 -36.92 78.97 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.99 0.424 . . . . 0.0 110.424 179.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 88.4 mt -63.57 -36.94 85.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.201 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.517 ' HB3' ' CE2' ' B' ' 36' ' ' PHE . . . -61.38 -41.2 96.72 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -179.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . 0.624 ' HG2' ' O ' ' B' ' 92' ' ' LEU . 24.0 pt-20 -67.67 -22.91 65.28 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.447 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -66.2 -40.34 90.3 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.239 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.486 HG22 ' O ' ' B' ' 94' ' ' ALA . 13.8 tt -75.56 -27.01 18.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 120.992 0.425 . . . . 0.0 110.855 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -62.12 -37.81 95.1 Favored Glycine 0 C--N 1.337 0.584 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.932 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -88.73 95.88 10.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.338 . . . . 0.0 110.619 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -144.57 160.7 40.72 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.778 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -72.12 129.94 39.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.789 0.328 . . . . 0.0 110.796 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -152.04 159.32 43.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.313 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -157.08 158.77 37.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.169 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -156.19 154.12 30.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.347 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -91.57 97.33 10.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.716 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 48.6 mttp . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.016 -0.993 . . . . 0.0 110.614 179.741 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.957 0.408 . . . . 0.0 110.729 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . -170.19 169.42 42.21 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.552 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -85.7 130.82 34.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.803 0.335 . . . . 0.0 111.042 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 27.8 mm -118.57 125.85 74.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.309 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 617' ' ' VAL . . . . . 0.433 ' HB ' ' HG3' ' A' ' 656' ' ' PRO . 91.4 t -123.99 126.26 72.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 178.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . 0.496 HD22 ' CH2' ' A' ' 642' ' ' TRP . 1.2 tt -123.83 127.83 48.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.043 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 619' ' ' VAL . . . . . 0.463 ' HB ' ' CD2' ' A' ' 661' ' ' LEU . 58.7 t -110.7 112.79 42.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.049 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 42.3 t -164.49 151.39 11.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.028 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 48.2 mp0 -93.76 2.92 56.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.778 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -82.01 107.01 14.38 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.228 0.537 . . . . 0.0 111.146 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 51.1 mp0 -63.74 -36.96 85.59 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.196 -0.911 . . . . 0.0 112.785 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.41 95.2 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 625' ' ' THR . . . . . 0.598 ' O ' ' HB ' ' A' ' 629' ' ' ILE . 21.8 p -75.12 -20.47 59.41 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 179.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 626' ' ' SER . . . . . 0.597 ' HA ' ' CZ3' ' A' ' 642' ' ' TRP . 67.2 m -61.49 -48.83 79.27 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 86.1 m -73.11 -46.84 48.94 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 64.5 tp -65.97 -47.72 73.65 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 629' ' ' ILE . . . . . 0.598 ' HB ' ' O ' ' A' ' 625' ' ' THR . 1.1 mp -69.41 -41.62 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -177.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 90.9 m -62.93 -41.9 99.63 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.76 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 70.4 m -63.57 -41.44 98.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.768 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 91.3 mt -61.81 -50.26 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-O 120.871 0.367 . . . . 0.0 111.81 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 633' ' ' LEU . . . . . . . . . . . . . 75.5 mt -74.02 -39.73 63.39 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 634' ' ' THR . . . . . 0.717 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 92.5 m -64.96 -42.17 94.83 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -177.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 635' ' ' THR . . . . . . . . . . . . . 34.0 p -65.96 -20.51 66.23 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -85.74 3.26 42.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.684 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 100.96 -9.42 58.16 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.925 -0.655 . . . . 0.0 113.071 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 638' ' ' TYR . . . . . 0.717 ' O ' ' HA ' ' A' ' 634' ' ' THR . 87.2 m-85 -83.91 153.58 23.88 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 179.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 639' ' ' GLN . . . . . 0.419 ' HG3' ' HA ' ' B' ' 33' ' ' GLU . 24.2 mm100 -112.27 115.7 29.21 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.322 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 640' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 616' ' ' ILE . 48.8 t -101.02 129.43 52.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.331 0.586 . . . . 0.0 112.183 -178.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 641' ' ' ILE . . . . . . . . . . . . . 79.4 mt -117.19 120.39 64.84 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 177.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 642' ' ' TRP . . . . . 0.597 ' CZ3' ' HA ' ' A' ' 626' ' ' SER . 5.5 t-105 -93.46 115.92 28.45 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.986 0.422 . . . . 0.0 110.494 -179.264 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 84.7 mt -114.04 141.99 46.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.194 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 24.9 m -76.52 166.27 2.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -75.98 164.54 26.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.223 0.535 . . . . 0.0 112.109 -177.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 81.94 0.75 89.85 Favored Glycine 0 C--N 1.334 0.425 0 CA-C-N 115.39 -0.823 . . . . 0.0 113.793 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 647' ' ' GLU . . . . . 0.425 ' HB3' ' HD3' ' A' ' 650' ' ' ARG . 77.6 mm-40 -114.1 86.58 2.44 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -179.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . 0.449 HG23 ' OE1' ' A' ' 676' ' ' GLN . 78.6 t -71.12 -38.07 69.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.885 0.374 . . . . 0.0 110.198 177.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 46.4 mp0 -58.83 -38.64 79.15 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.815 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . 0.425 ' HD3' ' HB3' ' A' ' 647' ' ' GLU . 10.9 mpt_? -62.84 -38.72 91.91 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 178.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.67 -45.4 86.86 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.476 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 97.3 mt -67.89 -40.62 83.46 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.195 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -61.5 -39.61 91.61 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.646 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 75.2 mt -108.89 29.95 6.99 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.995 -178.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 655' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -31.09 103.14 0.2 Allowed Pre-proline 0 N--CA 1.477 0.909 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -178.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 656' ' ' PRO . . . . . 0.433 ' HG3' ' HB ' ' A' ' 617' ' ' VAL . 42.8 Cg_endo -87.35 177.63 3.74 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 123.763 2.975 . . . . 0.0 112.803 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 47.0 pt -81.69 -20.95 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -153.99 145.51 23.18 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.615 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 79.4 t -113.86 124.04 70.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 2.4 mp -116.72 132.77 56.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.144 0.497 . . . . 0.0 112.003 -179.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . 0.463 ' CD2' ' HB ' ' A' ' 619' ' ' VAL . 80.2 mt -116.33 130.6 56.86 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 178.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -117.84 138.23 52.24 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.975 0.732 . . . . 0.0 112.975 -178.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . 0.402 ' HB3' ' HA ' ' A' ' 664' ' ' PRO . 77.8 mm-40 -82.78 159.58 63.09 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.188 178.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 664' ' ' PRO . . . . . 0.402 ' HA ' ' HB3' ' A' ' 663' ' ' GLU . 8.9 Cg_exo -75.23 142.39 74.37 Favored 'Cis proline' 0 C--N 1.352 0.746 0 C-N-CA 124.615 -0.994 . . . . 0.0 113.353 -0.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -116.0 78.79 1.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 79.3 p -99.38 -4.82 30.74 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -102.28 -0.83 32.28 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -163.26 165.54 36.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.334 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -96.0 115.32 27.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.605 0.241 . . . . 0.0 110.746 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.04 -43.34 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.551 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -61.38 -38.04 85.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.14 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -60.36 -44.92 95.12 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 85.6 mt -64.04 -41.92 97.23 Favored 'General case' 0 N--CA 1.461 0.075 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 73.2 t -63.01 -46.22 96.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.832 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 675' ' ' ASP . . . . . 0.535 ' O ' ' HG2' ' A' ' 678' ' ' ARG . 37.2 t70 -60.94 -45.23 95.51 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.052 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . 0.449 ' OE1' HG23 ' A' ' 648' ' ' VAL . 66.1 mt-30 -67.65 -41.04 84.47 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.77 -39.83 95.22 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 678' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' A' ' 675' ' ' ASP . 9.1 ptm180 -66.69 -17.81 65.05 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -89.26 -10.16 47.96 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.954 0.407 . . . . 0.0 110.48 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 680' ' ' ARG . . . . . 0.448 ' NH1' ' HB3' ' A' ' 676' ' ' GLN . 4.8 mpt_? -108.31 -43.44 4.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.256 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 75.5 m -126.32 143.14 51.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.741 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 79.6 p -75.76 150.25 83.86 Favored Pre-proline 0 C--O 1.234 0.277 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.908 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -63.94 -24.81 67.24 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.728 2.285 . . . . 0.0 113.435 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -72.11 -25.87 61.91 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.574 0.226 . . . . 0.0 111.209 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -99.76 -35.3 9.84 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.364 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 686' ' ' LEU . . . . . . . . . . . . . 67.4 tp -128.01 127.39 43.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.963 0.411 . . . . 0.0 110.622 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -108.67 148.63 30.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.345 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 688' ' ' ILE . . . . . . . . . . . . . 82.1 mt -116.05 127.21 73.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.296 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -120.44 144.26 48.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.577 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 690' ' ' ILE . . . . . 0.412 HG21 HD13 ' A' ' 690' ' ' ILE . 92.7 mt -119.83 128.41 75.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.009 0.433 . . . . 0.0 111.004 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 7.1 mp -96.94 128.22 43.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.169 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 96.15 169.75 34.87 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.124 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 94.4 p -72.73 155.02 40.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 111.457 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -166.76 -69.19 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.432 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . 160.36 -172.9 36.88 Favored Glycine 0 N--CA 1.45 -0.388 0 N-CA-C 111.431 -0.667 . . . . 0.0 111.431 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -94.46 105.09 17.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 117.021 0.41 . . . . 0.0 110.168 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -125.73 147.5 49.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 0.0 110.953 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -77.01 158.47 30.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.195 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 86.19 3.28 85.04 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.939 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 60.3 t -112.33 121.66 65.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -69.13 -43.68 73.9 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 61.1 ttm-85 -160.5 152.18 19.76 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.877 0.37 . . . . 0.0 111.908 -178.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -110.51 137.59 48.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.369 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 4.7 mp -106.03 111.77 64.36 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.722 0.296 . . . . 0.0 110.356 178.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -73.82 156.58 48.34 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.922 2.415 . . . . 0.0 113.596 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . 0.504 ' HA ' ' C ' ' A' ' 707' ' ' PRO . 7.5 mp -114.51 160.25 33.76 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.851 179.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 707' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 706' ' ' LEU . 51.1 Cg_exo -58.89 143.79 28.92 Favored 'Cis proline' 0 C--N 1.356 0.928 0 C-N-CA 124.753 -0.936 . . . . 0.0 113.577 0.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 708' ' ' ILE . . . . . . . . . . . . . 15.9 tt -85.86 132.61 31.6 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.323 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -114.97 146.08 35.41 Favored Pre-proline 0 C--N 1.327 -0.408 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -54.23 -58.04 1.52 Allowed 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.947 2.431 . . . . 0.0 114.133 -178.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -63.28 -40.72 98.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.96 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 69.1 m -63.19 -48.8 76.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.739 -178.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 713' ' ' PHE . . . . . 0.422 ' O ' HG23 ' A' ' 717' ' ' VAL . 69.7 t80 -61.28 -50.68 72.03 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.12 -46.59 83.46 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -178.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -66.92 -40.47 87.64 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -178.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -64.48 -43.79 93.04 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 120.778 0.323 . . . . 0.0 110.747 -179.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 717' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 713' ' ' PHE . 65.3 t -66.27 -43.31 91.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.065 179.19 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 92.4 m -60.83 -46.42 90.61 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.114 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 65.2 ttp -63.04 -40.45 97.74 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.863 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -66.05 -21.03 69.47 Favored Glycine 0 CA--C 1.523 0.557 0 C-N-CA 120.968 -0.634 . . . . 0.0 113.067 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 721' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 717' ' ' VAL . 94.5 mt -82.55 -5.89 59.02 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 77.3 p -71.32 -17.37 62.45 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.739 0.304 . . . . 0.0 111.621 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 60.3 m -91.55 0.9 57.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.388 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 724' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.59 129.24 35.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.869 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -71.7 139.23 49.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.886 0.374 . . . . 0.0 111.145 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 68.6 p -128.45 160.12 33.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.934 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 61.0 m -128.7 148.35 50.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.599 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . 62.22 -95.81 0.05 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.782 0.676 . . . . 0.0 111.725 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.772 -179.744 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 120.968 0.413 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.84 121.41 77.58 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.161 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -71.12 148.35 56.13 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.617 2.211 . . . . 0.0 112.704 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 mp 60.73 39.37 17.48 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.256 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -130.41 24.1 5.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.679 0.276 . . . . 0.0 110.63 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -124.59 109.64 13.44 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.137 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 77.9 p -131.12 159.81 36.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.277 -0.419 . . . . 0.0 109.885 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.83 153.96 17.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.361 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 62.5 t -120.35 123.79 71.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.863 0.363 . . . . 0.0 111.098 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 67.7 tp -105.75 124.64 49.9 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.419 ' HA ' ' O ' ' B' ' 43' ' ' LYS . 61.6 pttt -107.95 145.6 33.61 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.58 0.705 . . . . 0.0 112.221 -179.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.611 ' CD2' ' HG ' ' B' ' 65' ' ' LEU . 72.9 mt -123.76 124.62 43.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.112 -178.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -99.38 120.78 40.15 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.83 166.59 27.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.347 -179.153 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.71 134.71 39.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.027 0.442 . . . . 0.0 111.979 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.04 178.11 51.36 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.547 -0.751 . . . . 0.0 113.857 177.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 31.3 p-10 -118.08 22.49 12.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.877 0.37 . . . . 0.0 110.835 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 60.9 p -69.7 156.74 91.16 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.503 -179.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -54.87 -36.66 92.07 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 123.181 2.587 . . . . 0.0 113.41 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -61.33 -40.74 95.36 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.848 0.356 . . . . 0.0 110.742 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 66.6 m -69.07 -39.6 79.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.06 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.547 ' O ' ' HG3' ' B' ' 26' ' ' LYS . 61.2 t -64.53 -46.72 91.82 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.508 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -63.6 -37.27 86.68 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.75 -39.75 85.83 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.9 0.381 . . . . 0.0 111.445 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.49 -34.67 74.66 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.006 0.431 . . . . 0.0 111.286 179.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.547 ' HG3' ' O ' ' B' ' 22' ' ' VAL . 29.6 mtpt -67.03 -38.74 86.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.936 -178.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 74.5 p -68.12 -39.69 82.69 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.62 -41.92 78.82 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 121.205 -0.198 . . . . 0.0 110.688 179.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.67 -40.9 98.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.811 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -62.04 -44.73 96.07 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.94 0.4 . . . . 0.0 111.345 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -69.19 -41.25 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.699 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 62.5 tp -64.34 -42.59 96.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.84 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.507 ' O ' ' HB3' ' B' ' 37' ' ' LYS . 14.3 tm-20 -62.3 -39.18 92.16 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -178.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -97.05 -57.21 2.33 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -178.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -69.7 -38.84 77.13 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -177.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -117.67 34.66 5.04 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -176.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.507 ' HB3' ' O ' ' B' ' 33' ' ' GLU . 7.3 ptmm? -68.4 127.63 33.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.938 0.399 . . . . 0.0 111.314 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.19 6.69 88.58 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 121.09 -0.576 . . . . 0.0 113.187 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 59.1 t -98.45 -52.02 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.774 0.287 . . . . 0.0 111.753 -179.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -152.18 165.59 34.35 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 121.34 0.591 . . . . 0.0 112.528 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.56 154.0 20.47 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 114.99 -1.004 . . . . 0.0 111.0 -179.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 47.3 tp -110.69 138.17 47.43 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.861 0.362 . . . . 0.0 111.91 -178.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' B' ' 11' ' ' LYS . 40.9 ttmt -127.78 134.18 49.48 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.263 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 58.7 t -120.67 127.44 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-O 121.014 0.435 . . . . 0.0 112.054 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 81.9 mt -122.84 132.41 71.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.511 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -94.43 114.25 26.24 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 34.4 m -65.55 -32.04 56.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 113.356 0.872 . . . . 0.0 113.356 -178.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 85.3 mt -67.83 -37.5 81.99 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 122.257 -0.277 . . . . 0.0 111.699 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 29.7 tptp -68.62 -39.61 80.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.057 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.583 ' OD1' ' HG2' ' B' ' 52' ' ' GLN . 22.5 t-20 -134.73 82.07 45.41 Favored Pre-proline 0 C--N 1.33 -0.252 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -55.96 -32.96 87.68 Favored 'Trans proline' 0 N--CA 1.48 0.734 0 C-N-CA 123.975 3.117 . . . . 0.0 114.992 -177.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.583 ' HG2' ' OD1' ' B' ' 50' ' ' ASN . 25.3 pt20 -63.13 -26.91 69.04 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -178.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.78 -41.84 87.04 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.916 0.388 . . . . 0.0 110.721 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.74 -38.63 87.03 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.815 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.87 -27.22 68.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.787 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' B' ' 52' ' ' GLN . 97.1 mt-10 -66.05 -38.58 88.71 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.304 -179.267 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -107.25 13.03 27.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.633 0.254 . . . . 0.0 111.203 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 54.74 44.78 27.98 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.232 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 88.7 mt -98.51 112.12 29.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.934 0.397 . . . . 0.0 109.968 179.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 83.3 mt -111.79 8.35 20.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.952 -178.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -139.17 150.91 46.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.672 0.272 . . . . 0.0 111.213 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 69.8 p -142.64 155.0 63.66 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.622 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -76.91 146.98 85.27 Favored 'Cis proline' 0 C--N 1.351 0.705 0 C-N-CA 123.887 -1.297 . . . . 0.0 112.773 -1.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 98.7 m -134.23 137.01 44.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.843 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.611 ' HG ' ' CD2' ' B' ' 12' ' ' LEU . 5.2 mp -98.69 117.38 33.02 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 177.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -110.0 145.02 37.7 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 -177.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.629 ' CB ' ' HB ' ' B' ' 73' ' ' VAL . 21.9 ptmt -73.22 148.14 44.0 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.375 -0.83 . . . . 0.0 112.303 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -148.08 -67.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 114.981 -1.009 . . . . 0.0 108.563 177.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 3.5 pp -161.84 150.28 12.6 Favored Pre-proline 0 CA--C 1.532 0.257 0 N-CA-C 111.549 0.203 . . . . 0.0 111.549 177.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.96 127.89 15.68 Favored 'Cis proline' 0 C--N 1.354 0.834 0 C-N-CA 123.214 -1.578 . . . . 0.0 112.243 -0.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -64.89 144.92 84.67 Favored 'Trans proline' 0 CA--C 1.534 0.52 0 C-N-CA 122.702 2.268 . . . . 0.0 112.254 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -92.63 130.56 6.25 Favored 'Cis proline' 0 CA--C 1.537 0.627 0 C-N-CA 123.886 -1.297 . . . . 0.0 113.374 -1.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . 0.629 ' HB ' ' CB ' ' B' ' 67' ' ' LYS . 61.9 t -97.2 142.64 13.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -87.59 123.35 32.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.023 -0.423 . . . . 0.0 110.73 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -71.45 142.71 50.22 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.132 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . 0.44 ' HB ' ' HB2' ' B' ' 65' ' ' LEU . 79.5 mt -122.91 128.6 75.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.788 0.327 . . . . 0.0 111.355 -179.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -128.23 133.83 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.283 179.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.02 -165.01 34.58 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.278 -0.963 . . . . 0.0 112.778 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -85.93 108.46 18.19 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 94.2 mt -89.26 -1.53 58.11 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 87.4 p -70.47 -20.03 62.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.036 0.446 . . . . 0.0 110.571 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.415 ' O ' HG21 ' B' ' 86' ' ' VAL . 58.9 t-20 -92.97 113.29 25.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.065 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -59.85 -37.06 78.19 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.82 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -58.31 -45.61 87.69 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.648 0.261 . . . . 0.0 111.324 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.18 -37.94 72.16 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.409 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.415 HG21 ' O ' ' B' ' 82' ' ' ASN . 75.3 t -61.87 -43.82 97.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.473 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.486 ' O ' ' HG2' ' B' ' 91' ' ' ARG . 64.2 tp -60.71 -45.43 94.24 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.591 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 91.6 mt -61.1 -46.94 95.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.931 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.27 -41.45 99.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.016 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 6.9 mp -68.66 -34.56 75.92 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.922 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' B' ' 87' ' ' LEU . 28.3 mmm180 -62.54 -37.25 85.38 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.733 0.301 . . . . 0.0 110.482 179.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.15 -39.03 91.25 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.123 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 94.5 mt -63.51 -38.04 89.61 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.504 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.611 ' O ' HG22 ' B' ' 97' ' ' ILE . . . -60.94 -39.45 89.52 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.368 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.5 -42.31 99.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.616 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -64.47 -43.4 94.32 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.65 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.611 HG22 ' O ' ' B' ' 94' ' ' ALA . 15.7 tt -68.79 -22.15 26.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-O 120.868 0.366 . . . . 0.0 111.134 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -73.56 -8.99 77.65 Favored Glycine 0 CA--C 1.52 0.393 0 CA-C-N 116.075 -0.511 . . . . 0.0 113.003 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 31.1 t0 60.39 53.7 4.17 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.027 0.441 . . . . 0.0 111.179 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -72.36 157.86 36.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.09 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.81 154.88 38.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.784 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -156.02 161.19 40.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.217 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -90.63 106.96 18.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.692 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -63.42 -41.69 98.71 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 28.8 t0 55.36 44.56 27.05 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.053 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 50.3 mmtm . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.598 179.535 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 46.3 mp0 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.976 0.417 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . 95.95 161.11 33.03 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.809 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -95.62 151.03 19.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.961 0.41 . . . . 0.0 111.321 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . 0.569 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 96.9 mt -128.25 133.24 67.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.891 -179.377 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 98.4 t -108.14 124.97 64.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 121.089 0.471 . . . . 0.0 110.151 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 57.2 tp -108.84 123.57 49.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.808 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 57.8 t -114.79 114.28 46.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.091 0.472 . . . . 0.0 109.883 179.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 46.9 t -160.22 146.95 15.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.782 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 621' ' ' GLU . . . . . 0.508 ' HG3' ' CD1' ' A' ' 667' ' ' TYR . 78.0 mm-40 -90.18 -7.96 52.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.799 0.333 . . . . 0.0 110.764 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -95.4 108.3 20.49 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.926 0.393 . . . . 0.0 110.115 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -62.59 -39.72 94.63 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -178.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -60.24 -46.61 89.19 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -178.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 92.4 m -67.34 -41.53 85.04 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.112 0.482 . . . . 0.0 110.483 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 70.0 m -62.43 -41.28 98.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.433 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 88.9 m -64.02 -42.74 97.02 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.048 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.45 -50.54 73.17 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.13 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 629' ' ' ILE . . . . . 0.449 ' O ' HG23 ' A' ' 629' ' ' ILE . 72.8 mt -66.51 -34.52 70.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.457 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 42.0 t -53.95 -50.17 67.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.097 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 89.3 p -68.13 -35.26 77.82 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 120.774 0.321 . . . . 0.0 110.634 178.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 74.6 mt -60.6 -47.66 91.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 112.085 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 633' ' ' LEU . . . . . . . . . . . . . 90.0 mt -87.78 -39.53 14.82 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 634' ' ' THR . . . . . 0.631 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 92.7 m -63.45 -45.02 92.79 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -177.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 635' ' ' THR . . . . . . . . . . . . . 1.4 m -73.72 -14.92 61.22 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.949 0.404 . . . . 0.0 111.32 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -81.96 0.61 39.23 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.443 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 102.07 3.09 51.69 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.879 -0.677 . . . . 0.0 113.025 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 638' ' ' TYR . . . . . 0.631 ' O ' ' HA ' ' A' ' 634' ' ' THR . 96.8 m-85 -100.17 151.86 20.93 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -105.26 113.66 27.38 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 640' ' ' VAL . . . . . 0.569 ' HA ' ' O ' ' A' ' 616' ' ' ILE . 61.8 t -107.83 130.85 59.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -177.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 641' ' ' ILE . . . . . 0.421 HD11 HG22 ' A' ' 641' ' ' ILE . 87.3 mt -117.28 126.32 74.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 177.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 642' ' ' TRP . . . . . 0.486 ' HB3' ' HG2' ' B' ' 43' ' ' LYS . 82.3 t90 -95.1 121.83 37.13 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.751 0.31 . . . . 0.0 110.726 -179.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.24 142.27 47.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 -179.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 13.1 m -77.35 151.22 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -67.1 151.11 48.2 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -178.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 102.96 -9.37 55.0 Favored Glycine 0 C--N 1.338 0.64 0 N-CA-C 114.993 0.757 . . . . 0.0 114.993 178.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -114.39 106.44 14.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 118.261 1.031 . . . . 0.0 112.812 -179.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 90.6 t -84.11 -41.21 16.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 49.3 mp0 -59.55 -39.23 83.33 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.862 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -64.27 -37.46 87.58 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 178.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.61 -42.55 91.47 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.729 178.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 92.9 mt -65.99 -39.33 90.23 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.665 178.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.9 83.55 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.009 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 90.0 mt -108.57 30.02 6.86 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.074 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 655' ' ' THR . . . . . 0.406 HG21 ' O ' ' A' ' 655' ' ' THR . 5.6 t -46.9 108.26 0.83 Allowed Pre-proline 0 N--CA 1.468 0.463 0 CA-C-O 121.8 0.809 . . . . 0.0 112.914 -178.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -88.65 -170.34 0.49 Allowed 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 123.991 3.127 . . . . 0.0 112.766 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 46.9 pt -81.09 -25.69 10.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.447 0.642 . . . . 0.0 109.492 177.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -158.68 154.43 26.39 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.216 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 30.1 m -121.11 149.0 24.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.941 0.4 . . . . 0.0 110.992 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 73.6 mt -116.02 119.33 35.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.444 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 77.9 mt -112.99 127.24 56.17 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -109.88 132.86 53.77 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . 0.404 ' HB3' ' HA ' ' A' ' 664' ' ' PRO . 74.9 mm-40 -84.26 159.27 59.61 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.199 178.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 664' ' ' PRO . . . . . 0.404 ' HA ' ' HB3' ' A' ' 663' ' ' GLU . 79.4 Cg_endo -82.56 157.58 77.36 Favored 'Cis proline' 0 C--N 1.352 0.714 0 C-N-CA 124.328 -1.113 . . . . 0.0 113.605 -0.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -103.93 80.28 1.73 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.186 178.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 81.7 p -94.13 -7.86 41.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.848 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 667' ' ' TYR . . . . . 0.508 ' CD1' ' HG3' ' A' ' 621' ' ' GLU . 95.5 m-85 -103.86 4.13 34.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.718 0.294 . . . . 0.0 111.578 -179.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 177.53 170.09 39.41 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.902 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 669' ' ' ASP . . . . . 0.666 ' O ' ' HG2' ' A' ' 672' ' ' GLU . 47.8 t0 -93.99 110.26 21.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 117.009 0.405 . . . . 0.0 110.576 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 13.1 p -59.79 -30.9 46.11 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-O 120.908 0.385 . . . . 0.0 111.044 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -64.85 -39.02 92.89 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.555 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . 0.666 ' HG2' ' O ' ' A' ' 669' ' ' ASP . 12.2 pt-20 -71.97 -35.42 69.52 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.859 -179.324 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 59.8 tp -67.26 -45.57 76.25 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.345 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 12.5 p -65.43 -39.19 84.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -62.73 -45.44 92.7 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.007 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -64.91 -41.01 95.94 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.284 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.07 -39.87 95.02 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.766 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -62.64 -38.9 92.08 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.785 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -65.61 -36.56 84.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.634 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 14.0 mmp_? -87.2 -40.23 14.76 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.214 0.449 . . . . 0.0 112.214 -178.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 75.9 m -124.55 136.15 53.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.806 0.336 . . . . 0.0 111.489 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 61.4 p -73.06 158.46 87.04 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.656 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -54.27 -37.59 88.32 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 122.797 2.332 . . . . 0.0 113.416 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -73.63 -33.71 64.67 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.119 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -72.21 -38.21 69.06 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 120.778 0.323 . . . . 0.0 111.324 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 686' ' ' LEU . . . . . . . . . . . . . 3.8 tt -148.25 132.63 17.56 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.252 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -104.33 145.21 30.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.036 0.446 . . . . 0.0 111.194 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 688' ' ' ILE . . . . . . . . . . . . . 26.0 mm -107.73 123.35 63.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.653 -178.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -117.76 135.61 53.93 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 178.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 86.0 mt -119.79 130.06 74.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.043 0.449 . . . . 0.0 110.602 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 691' ' ' LEU . . . . . 0.422 ' HG ' ' HB ' ' A' ' 704' ' ' ILE . 6.2 mp -100.32 130.84 46.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.185 -179.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 72.89 26.81 70.23 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.88 -0.676 . . . . 0.0 113.539 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 87.2 p -72.01 156.45 39.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.747 0.308 . . . . 0.0 111.506 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -64.7 -41.72 95.82 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.884 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . -174.42 -168.44 35.23 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.779 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -63.54 128.1 34.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.808 0.337 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -125.46 133.37 52.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.365 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -61.72 134.88 57.3 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.011 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 97.28 -5.38 62.91 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.206 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 70.1 t -109.2 126.28 66.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -62.37 -46.38 88.93 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.02 -179.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -161.48 152.24 18.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.84 0.352 . . . . 0.0 110.998 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -120.24 149.59 42.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.005 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 704' ' ' ILE . . . . . 0.422 ' HB ' ' HG ' ' A' ' 691' ' ' LEU . 28.6 mm -103.86 112.96 65.77 Favored Pre-proline 0 C--N 1.328 -0.348 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.322 -179.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -72.8 153.98 53.68 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.688 2.258 . . . . 0.0 112.785 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . 0.474 ' HA ' ' C ' ' A' ' 707' ' ' PRO . 5.0 mp -110.91 158.93 34.35 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.414 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 707' ' ' PRO . . . . . 0.474 ' C ' ' HA ' ' A' ' 706' ' ' LEU . 37.7 Cg_endo -64.22 150.3 71.77 Favored 'Cis proline' 0 C--N 1.354 0.838 0 C-N-CA 124.001 -1.25 . . . . 0.0 113.23 1.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 708' ' ' ILE . . . . . 0.419 HD11 HG23 ' A' ' 708' ' ' ILE . 12.8 tt -86.25 127.55 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.754 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -118.6 147.89 43.04 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -53.4 -57.5 1.93 Allowed 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.866 2.378 . . . . 0.0 113.848 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.38 -40.1 95.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 70.3 m -62.43 -47.15 85.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.289 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 713' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -60.15 -49.24 78.4 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.169 179.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . 0.441 ' O ' HG11 ' A' ' 717' ' ' VAL . 62.5 tp -61.08 -44.23 97.69 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.683 -179.318 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -64.1 -44.12 93.27 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 111.542 0.201 . . . . 0.0 111.542 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -66.27 -41.91 89.23 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 717' ' ' VAL . . . . . 0.441 HG11 ' O ' ' A' ' 714' ' ' LEU . 9.9 p -69.09 -38.39 78.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.863 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 90.9 m -64.89 -43.27 93.44 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.092 0.472 . . . . 0.0 110.456 178.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 65.8 ttp -61.41 -43.13 99.4 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.859 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -65.37 -25.01 71.08 Favored Glycine 0 CA--C 1.522 0.507 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.829 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 95.5 mt -87.8 -0.95 57.62 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -179.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 70.4 p -65.14 -28.04 69.15 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 73.4 m -64.95 -41.66 95.3 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 120.85 0.357 . . . . 0.0 110.299 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 724' ' ' LEU . . . . . . . . . . . . . 65.8 tp -66.5 -46.66 75.5 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.879 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -155.91 153.74 30.12 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.346 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 69.3 p -72.1 148.75 45.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 111.416 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 5.6 t -163.57 -171.86 2.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.101 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -110.61 134.68 52.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.691 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.138 -0.934 . . . . 0.0 111.018 -179.692 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.2 mmt . . . . . 0 N--CA 1.489 1.476 0 CA-C-O 121.018 0.437 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.0 116.8 66.17 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.017 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -77.3 62.58 7.63 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.91 2.407 . . . . 0.0 112.969 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.8 mp -102.21 17.12 24.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? -128.31 32.64 4.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.7 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.01 97.03 6.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.949 0.404 . . . . 0.0 111.84 -178.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 72.5 p -130.49 159.03 38.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.522 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.47 141.72 29.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.822 0.344 . . . . 0.0 110.517 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 65.2 t -102.35 106.57 20.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-O 121.231 0.538 . . . . 0.0 111.448 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 58.7 tp -103.95 124.23 48.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.755 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -109.75 145.64 36.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.484 0.659 . . . . 0.0 112.339 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 58.2 tp -127.01 121.02 30.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.584 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -100.55 123.67 45.07 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 178.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.4 m -137.95 169.0 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.509 ' CB ' ' HB2' ' B' ' 48' ' ' LEU . . . -140.37 134.62 31.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.851 0.358 . . . . 0.0 111.471 -179.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.12 171.08 47.52 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 121.029 -0.605 . . . . 0.0 113.902 178.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 38.9 p-10 -113.59 23.94 12.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.195 0.521 . . . . 0.0 110.118 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 52.5 p -69.03 158.3 86.88 Favored Pre-proline 0 C--O 1.235 0.307 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.503 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -53.6 -36.31 80.39 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 123.21 2.606 . . . . 0.0 113.487 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -60.63 -43.13 97.88 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.863 0.363 . . . . 0.0 110.832 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 66.6 m -69.5 -39.65 77.48 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.197 0.522 . . . . 0.0 110.077 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.64 -47.24 92.15 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.766 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 91.7 mtm180 -65.56 -36.99 85.4 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.38 -40.43 86.49 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.607 0.241 . . . . 0.0 110.866 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 78.3 mt -61.93 -41.54 98.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.038 178.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -63.59 -40.38 96.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.918 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 77.2 p -69.3 -41.44 76.77 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.804 -0.359 . . . . 0.0 111.102 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' B' ' 32' ' ' LEU . 81.2 mt -67.53 -42.38 82.84 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.443 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.54 -43.27 97.61 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -62.53 -47.21 84.92 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.814 0.34 . . . . 0.0 111.363 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 97.7 mt -67.28 -41.97 87.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.069 0.462 . . . . 0.0 110.978 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' B' ' 28' ' ' LEU . 3.8 tp -64.36 -49.05 73.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.718 -179.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.605 ' O ' ' HB2' ' B' ' 37' ' ' LYS . 14.7 tm-20 -70.33 -40.93 73.84 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -179.089 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -80.94 -40.14 24.99 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 -176.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -87.37 -49.11 7.45 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -177.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -132.51 69.35 1.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -178.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.605 ' HB2' ' O ' ' B' ' 33' ' ' GLU . 39.9 ttpt -80.56 133.03 35.73 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.61 -9.4 73.8 Favored Glycine 0 C--N 1.334 0.444 0 N-CA-C 115.52 0.968 . . . . 0.0 115.52 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 29.1 m -93.91 -27.71 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 118.428 1.114 . . . . 0.0 111.955 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -152.52 165.71 34.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.283 0.563 . . . . 0.0 112.059 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.85 157.8 35.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.976 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 66.7 tp -113.26 119.84 39.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.999 0.428 . . . . 0.0 111.749 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.486 ' HG2' ' HB3' ' A' ' 642' ' ' TRP . 60.3 mttp -100.86 133.39 45.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.527 177.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 59.1 t -116.64 125.87 73.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.879 0.371 . . . . 0.0 111.645 -178.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 84.0 mt -121.45 132.9 69.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.078 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -91.83 103.84 16.34 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.768 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 28.5 m -82.84 -14.63 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.509 ' HB2' ' CB ' ' B' ' 15' ' ' ALA . 59.0 tp -65.88 -45.02 83.59 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 120.635 0.255 . . . . 0.0 111.634 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -72.53 -26.43 61.75 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.892 0.377 . . . . 0.0 111.519 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.676 ' OD1' ' HG ' ' B' ' 53' ' ' LEU . 16.9 t-20 -132.74 85.09 48.11 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -179.355 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -55.49 -35.43 92.27 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.75 2.967 . . . . 0.0 114.643 -178.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.486 ' HG2' ' OD1' ' B' ' 50' ' ' ASN . 16.2 pm0 -64.42 -22.41 66.95 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -178.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . 0.676 ' HG ' ' OD1' ' B' ' 50' ' ' ASN . 85.5 mt -63.62 -43.07 97.95 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.051 178.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.31 -39.98 85.98 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.641 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.91 -36.12 82.91 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.106 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -62.92 -39.73 95.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.665 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -96.73 10.15 39.6 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.189 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 59.0 mtmt 54.73 44.74 28.05 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.087 0.555 . . . . 0.0 112.356 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 92.7 mt -109.45 121.75 62.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 87.6 mt -112.5 5.33 17.93 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -143.61 144.94 32.13 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 73.9 p -135.71 155.14 78.34 Favored Pre-proline 0 N--CA 1.464 0.237 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.739 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -71.41 149.9 92.88 Favored 'Cis proline' 0 C--N 1.353 0.769 0 C-N-CA 123.835 -1.319 . . . . 0.0 113.179 -0.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.58 127.47 45.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.79 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 24.5 tp -99.39 121.07 40.61 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -117.62 139.24 51.26 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -178.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -105.38 121.56 44.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.348 178.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 47.2 t -107.72 -58.92 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.557 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 84.6 mt -130.92 142.81 46.91 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.871 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -77.92 156.39 94.83 Favored 'Cis proline' 0 C--N 1.347 0.447 0 C-N-CA 123.544 -1.44 . . . . 0.0 111.967 -1.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.88 165.27 33.24 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 122.742 2.295 . . . . 0.0 112.314 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -71.33 156.58 96.65 Favored 'Cis proline' 0 C--N 1.352 0.739 0 C-N-CA 124.188 -1.172 . . . . 0.0 114.02 1.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 27.4 m -76.11 155.35 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.072 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -151.11 153.82 35.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.455 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -128.86 131.21 47.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.476 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 82.5 mt -115.71 123.21 70.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.892 0.377 . . . . 0.0 110.549 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 80.7 mt -116.27 124.65 72.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.062 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 175.38 -168.86 41.51 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.134 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -88.24 99.97 12.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.771 0.319 . . . . 0.0 110.513 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 5.6 mp -83.74 -6.87 59.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.313 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 67.0 m -65.33 -32.62 74.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.052 0.453 . . . . 0.0 110.573 178.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 62.7 t-20 -83.75 117.69 23.41 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.396 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -60.24 -37.07 79.23 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.535 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.69 -45.41 89.53 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.712 0.291 . . . . 0.0 111.166 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -68.58 -34.23 75.44 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.315 -0.402 . . . . 0.0 112.033 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 72.2 t -59.94 -43.15 91.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.69 -39.4 80.61 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.052 0.453 . . . . 0.0 110.072 178.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 92.3 mt -62.05 -48.68 87.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.715 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -86.23 -44.18 12.37 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 -177.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 25.8 tp -65.94 -39.59 90.63 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -176.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 37.7 ttt85 -62.8 -35.6 80.39 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 -179.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.82 -39.59 89.54 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.64 -38.62 91.62 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.201 178.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.56 ' O ' HG23 ' B' ' 97' ' ' ILE . . . -61.78 -38.32 87.61 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.591 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -60.37 -40.06 89.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.68 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -61.78 -45.34 94.31 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.42 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.56 HG23 ' O ' ' B' ' 94' ' ' ALA . 11.1 tp -75.52 -31.17 23.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-O 120.792 0.329 . . . . 0.0 111.499 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.5 -20.63 77.21 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 121.161 -0.543 . . . . 0.0 113.035 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -83.75 74.89 10.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.976 0.417 . . . . 0.0 110.789 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -127.61 127.27 43.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.445 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -116.29 126.16 53.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.338 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . 0.447 ' OD2' ' HB3' ' B' ' 104' ' ' ASP . 35.8 t70 -63.93 -40.69 97.03 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.167 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 30.9 t0 57.76 52.17 8.43 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.926 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . 0.447 ' HB3' ' OD2' ' B' ' 102' ' ' ASP . 42.0 p-10 -92.48 7.98 40.76 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.466 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -90.28 103.1 15.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.802 0.334 . . . . 0.0 110.645 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 64.8 tttm . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.497 179.899 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.926 0.393 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . -122.48 31.02 4.98 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.491 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . 0.434 ' O ' HG12 ' A' ' 657' ' ' ILE . 36.9 mtp-105 -94.96 127.95 41.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.112 0.482 . . . . 0.0 112.01 -179.223 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . 0.555 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 88.8 mt -127.85 130.91 70.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.437 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 617' ' ' VAL . . . . . 0.446 ' HB ' ' HG3' ' A' ' 656' ' ' PRO . 94.8 t -108.22 125.54 64.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-O 121.327 0.584 . . . . 0.0 110.429 179.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 63.8 tp -106.21 122.9 47.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.273 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 56.4 t -114.68 106.89 21.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.952 0.406 . . . . 0.0 110.058 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 42.4 t -157.75 139.87 14.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.712 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -82.97 -13.23 56.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.746 178.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -86.0 108.57 18.29 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.42 -40.63 97.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.902 -178.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -62.15 -45.69 92.31 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -178.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 86.1 m -67.71 -43.34 80.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.968 0.413 . . . . 0.0 110.847 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 66.3 m -62.86 -41.67 99.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.073 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 91.0 m -62.63 -44.45 96.25 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.973 0.415 . . . . 0.0 110.722 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.05 -47.55 82.49 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.334 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 629' ' ' ILE . . . . . . . . . . . . . 40.3 mm -63.64 -45.0 98.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.154 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 95.3 m -62.53 -41.58 98.96 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.296 -178.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 631' ' ' SER . . . . . 0.424 ' HA ' ' OG1' ' B' ' 7' ' ' THR . 55.2 m -63.42 -43.84 96.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.051 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 95.8 mt -62.88 -48.97 85.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 633' ' ' LEU . . . . . . . . . . . . . 90.2 mt -71.16 -39.57 71.84 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 634' ' ' THR . . . . . 0.601 ' O ' ' HA2' ' B' ' 38' ' ' GLY . 90.7 m -65.13 -43.8 90.72 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -178.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 635' ' ' THR . . . . . . . . . . . . . 13.9 t -65.99 -15.29 62.88 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.742 0.306 . . . . 0.0 111.593 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -86.56 0.66 53.92 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.457 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 96.71 7.31 57.84 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.953 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 638' ' ' TYR . . . . . 0.5 ' O ' ' HA ' ' A' ' 634' ' ' THR . 82.8 m-85 -99.5 154.02 18.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.861 0.362 . . . . 0.0 110.719 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 18.4 tm0? -105.56 115.04 29.57 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 640' ' ' VAL . . . . . 0.555 ' HA ' ' O ' ' A' ' 616' ' ' ILE . 57.6 t -111.04 131.66 61.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -178.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 641' ' ' ILE . . . . . . . . . . . . . 85.9 mt -112.92 123.1 68.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.678 177.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 642' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -95.62 115.89 28.07 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.425 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.31 149.05 45.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.571 -178.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 17.2 m -74.73 150.15 7.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-O 120.941 0.401 . . . . 0.0 110.21 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . 0.466 ' OD1' HD13 ' A' ' 673' ' ' LEU . 20.0 t0 -74.3 158.93 33.16 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 113.399 0.888 . . . . 0.0 113.399 -177.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 103.09 -16.74 53.56 Favored Glycine 0 C--N 1.337 0.636 0 CA-C-N 115.303 -0.862 . . . . 0.0 114.802 178.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 647' ' ' GLU . . . . . 0.438 ' O ' ' HG ' ' A' ' 651' ' ' LEU . 78.2 mm-40 -115.5 91.33 3.57 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 118.152 0.976 . . . . 0.0 113.326 -178.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 76.2 t -71.32 -41.34 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.556 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 49.9 mp0 -59.67 -39.33 84.11 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.811 0.338 . . . . 0.0 110.309 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 68.3 mtt-85 -66.94 -36.4 82.14 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 178.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 647' ' ' GLU . 88.8 mt -65.01 -37.12 86.6 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.111 177.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 93.3 mt -61.02 -37.94 84.31 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.76 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -59.07 -38.52 79.65 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.664 0.745 . . . . 0.0 110.083 178.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 87.8 mt -108.51 30.39 6.51 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.221 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 655' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 655' ' ' THR . 8.6 t -49.03 115.62 4.77 Favored Pre-proline 0 N--CA 1.467 0.417 0 CA-C-O 121.869 0.842 . . . . 0.0 112.256 -178.066 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 656' ' ' PRO . . . . . 0.446 ' HG3' ' HB ' ' A' ' 617' ' ' VAL . 25.6 Cg_endo -88.92 -172.98 0.75 Allowed 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 124.067 3.178 . . . . 0.0 113.183 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.434 HG12 ' O ' ' A' ' 615' ' ' ARG . 48.0 pt -87.22 -20.36 7.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 177.112 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -152.72 145.97 24.73 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.628 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 68.0 t -115.98 128.25 73.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.362 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 82.9 mt -106.91 122.9 47.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.731 0.3 . . . . 0.0 111.383 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 86.9 mt -118.59 133.32 55.95 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -109.45 135.35 50.62 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -90.66 154.88 46.03 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.472 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 664' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -82.43 163.86 74.3 Favored 'Cis proline' 0 C--N 1.351 0.686 0 C-N-CA 124.288 -1.13 . . . . 0.0 112.784 -0.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 665' ' ' PHE . . . . . 0.457 ' HB2' ' O ' ' A' ' 668' ' ' GLY . 18.0 p90 -90.79 79.74 5.95 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.307 0.575 . . . . 0.0 111.123 179.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 71.2 m -63.73 -40.53 96.98 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.659 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -126.51 117.51 23.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.871 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . 0.457 ' O ' ' HB2' ' A' ' 665' ' ' PHE . . . 93.94 147.51 22.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.337 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -96.52 115.51 27.55 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.758 -0.26 . . . . 0.0 110.755 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 670' ' ' VAL . . . . . 0.461 ' O ' HG23 ' A' ' 674' ' ' VAL . 35.0 m -63.79 -32.69 57.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 C-N-CA 121.196 -0.202 . . . . 0.0 111.305 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -64.34 -39.35 93.71 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.158 0.504 . . . . 0.0 109.819 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . 0.421 ' HG3' ' OE1' ' A' ' 676' ' ' GLN . 53.5 tp10 -63.91 -42.26 97.46 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.383 178.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 673' ' ' LEU . . . . . 0.466 HD13 ' OD1' ' A' ' 645' ' ' ASP . 84.1 mt -62.64 -42.11 99.41 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.463 179.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 670' ' ' VAL . 53.9 t -61.59 -45.95 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.202 179.081 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -60.61 -44.46 96.28 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.16 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . 0.421 ' OE1' ' HG3' ' A' ' 672' ' ' GLU . 1.5 mp0 -65.07 -46.39 81.37 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.615 179.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 89.3 mt -61.92 -40.63 96.14 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -179.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -65.83 -35.93 82.06 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.747 0.308 . . . . 0.0 111.801 179.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.59 -26.7 55.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.711 0.291 . . . . 0.0 111.437 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.04 -43.9 10.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.669 -179.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 76.7 m -123.32 144.65 49.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.634 0.254 . . . . 0.0 110.489 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 682' ' ' THR . . . . . 0.403 ' OG1' ' HB2' ' A' ' 685' ' ' GLN . 67.2 p -71.85 152.96 93.19 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.421 -179.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -57.42 -37.99 95.69 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 123.157 2.571 . . . . 0.0 113.524 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 24.8 pm0 -74.11 -17.86 60.88 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 685' ' ' GLN . . . . . 0.403 ' HB2' ' OG1' ' A' ' 682' ' ' THR . 3.2 mp0 -96.76 -35.07 11.1 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 686' ' ' LEU . . . . . . . . . . . . . 69.2 tp -129.8 128.73 42.95 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.857 0.361 . . . . 0.0 111.001 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -103.62 147.17 27.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.638 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 688' ' ' ILE . . . . . . . . . . . . . 78.3 mt -119.5 126.25 75.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.21 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -119.39 141.19 49.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.824 0.345 . . . . 0.0 110.48 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 51.1 mm -116.18 124.97 73.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 4.0 mp -100.88 128.59 46.85 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 692' ' ' GLY . . . . . 0.653 ' O ' ' HA ' ' A' ' 705' ' ' PRO . . . 129.8 -122.75 3.84 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.066 -1.064 . . . . 0.0 112.58 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 87.5 p -73.75 164.18 26.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.601 0.238 . . . . 0.0 110.756 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -62.13 -39.9 94.11 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.047 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . 79.27 -55.18 4.34 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.278 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 55.9 t30 60.24 42.47 15.12 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.401 0.62 . . . . 0.0 110.922 -179.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -118.31 147.48 43.43 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.349 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -83.44 158.19 22.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.691 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 104.31 -2.53 43.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.601 -0.809 . . . . 0.0 113.006 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 27.3 m -118.75 145.65 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 110.737 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -72.72 -44.21 62.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.489 . . . . 0.0 112.295 -179.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -164.19 156.92 17.39 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.949 -178.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -118.95 148.52 42.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.35 . . . . 0.0 110.415 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.53 98.47 50.06 Favored Pre-proline 0 CA--C 1.535 0.38 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.218 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 705' ' ' PRO . . . . . 0.653 ' HA ' ' O ' ' A' ' 692' ' ' GLY . 32.5 Cg_exo -61.35 143.31 97.82 Favored 'Trans proline' 0 N--CA 1.479 0.649 0 C-N-CA 123.42 2.747 . . . . 0.0 113.946 -179.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 81.8 mt -97.15 151.57 37.78 Favored Pre-proline 0 N--CA 1.466 0.357 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.45 178.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 707' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -73.26 152.31 98.11 Favored 'Cis proline' 0 C--N 1.353 0.773 0 C-N-CA 123.873 -1.303 . . . . 0.0 112.469 -0.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 708' ' ' ILE . . . . . . . . . . . . . 43.4 pt -108.03 154.2 9.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.275 0.56 . . . . 0.0 111.882 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -112.12 148.94 40.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 178.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -51.97 -50.88 12.53 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.378 2.052 . . . . 0.0 113.489 -178.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -67.91 -39.94 83.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.416 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 70.0 m -63.41 -47.45 81.9 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.579 -179.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 713' ' ' PHE . . . . . 0.42 ' O ' HG21 ' A' ' 717' ' ' VAL . 83.3 t80 -60.13 -49.41 77.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.168 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 62.5 tp -61.1 -44.93 96.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.155 -178.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -64.79 -41.71 95.61 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -65.5 -42.87 91.63 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.762 0.315 . . . . 0.0 110.901 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 717' ' ' VAL . . . . . 0.42 HG21 ' O ' ' A' ' 713' ' ' PHE . 60.3 t -65.31 -43.17 95.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.618 179.026 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 718' ' ' THR . . . . . 0.447 ' O ' HG23 ' A' ' 722' ' ' THR . 92.3 m -60.12 -44.2 95.07 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 60.8 ttm -59.76 -45.69 91.45 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.228 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -63.2 -40.13 98.73 Favored Glycine 0 CA--C 1.522 0.491 0 C-N-CA 120.462 -0.875 . . . . 0.0 111.885 177.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.78 -38.32 90.59 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 722' ' ' THR . . . . . 0.545 ' HA ' ' O ' ' A' ' 725' ' ' ALA . 72.6 p -62.82 -26.11 68.58 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -179.07 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 73.8 m -65.51 -41.32 93.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.12 0.486 . . . . 0.0 109.821 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 724' ' ' LEU . . . . . . . . . . . . . 3.3 tt -70.14 -46.48 64.64 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.431 179.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 725' ' ' ALA . . . . . 0.545 ' O ' ' HA ' ' A' ' 722' ' ' THR . . . -166.25 -178.94 4.8 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.363 -179.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 63.3 p -64.13 -31.81 73.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.799 -0.182 . . . . 0.0 111.379 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 50.0 m 55.49 37.65 29.17 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.952 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -149.64 153.45 37.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.616 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 13.4 mp0 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.303 -0.856 . . . . 0.0 111.354 179.923 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 78.6 mtm . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.606 0.241 . . . . 0.0 110.693 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . 0.4 ' N ' ' HD3' ' B' ' 3' ' ' PRO . . . 51.08 61.83 12.45 Favored Pre-proline 0 N--CA 1.471 0.577 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.463 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.4 ' HD3' ' N ' ' B' ' 2' ' ' ALA . 48.0 Cg_exo -59.13 -29.0 89.35 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.141 2.561 . . . . 0.0 113.357 -179.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 mp -83.59 15.36 3.18 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 55.5 mmm-85 -120.49 18.36 12.09 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.757 0.313 . . . . 0.0 111.28 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.24 68.7 5.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.851 0.358 . . . . 0.0 111.783 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.424 ' OG1' ' HA ' ' A' ' 631' ' ' SER . 71.4 p -130.93 158.16 40.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.457 179.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -108.29 145.52 34.25 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 58.2 t -108.5 113.8 44.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.251 0.548 . . . . 0.0 111.277 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 68.7 tp -105.08 120.08 40.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.653 178.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -105.75 150.82 25.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.956 0.408 . . . . 0.0 110.661 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.12 133.56 33.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.768 -178.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' TYR . . . . . 0.514 ' CG ' HD11 ' B' ' 59' ' ' ILE . 93.0 m-85 -102.4 121.4 42.24 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 178.306 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 28.0 m -136.19 168.88 21.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.258 0.551 . . . . 0.0 112.325 -177.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.2 100.42 7.04 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.33 -0.85 . . . . 0.0 108.924 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.5 112.42 3.45 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.456 -0.878 . . . . 0.0 113.12 -178.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -162.5 -70.49 0.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.663 0.268 . . . . 0.0 110.684 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 65.7 p -77.8 152.35 80.16 Favored Pre-proline 0 N--CA 1.455 -0.194 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.378 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -55.26 -39.14 92.59 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.741 2.294 . . . . 0.0 113.277 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -62.75 -42.42 99.67 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.862 0.363 . . . . 0.0 110.882 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 69.5 m -70.03 -40.14 75.36 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.482 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 62.2 t -67.15 -42.4 88.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.993 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 -64.24 -23.62 67.37 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.186 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.31 -39.91 80.62 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 111.432 0.16 . . . . 0.0 111.432 -179.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 77.7 mt -63.81 -40.26 96.2 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.977 0.418 . . . . 0.0 110.8 178.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -63.06 -40.96 99.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.574 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 87.7 m -68.53 -43.0 77.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.8 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.29 -46.42 90.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.586 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.73 -40.48 92.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.603 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -62.01 -42.26 98.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.68 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.435 ' CD1' HG11 ' B' ' 86' ' ' VAL . 96.6 mt -66.73 -44.49 89.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.893 -178.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.3 mp -72.36 -34.55 68.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.565 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.585 ' O ' ' HB3' ' B' ' 37' ' ' LYS . 85.4 tt0 -63.86 -40.91 97.66 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -97.4 -55.13 2.93 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -177.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 54.8 tp10 -63.23 -47.08 83.97 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -176.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -131.38 61.9 1.63 Allowed 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -178.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.585 ' HB3' ' O ' ' B' ' 33' ' ' GLU . 5.1 ptmm? -76.61 136.22 39.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.0 0.429 . . . . 0.0 111.373 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.601 ' HA2' ' O ' ' A' ' 634' ' ' THR . . . 82.73 2.46 90.64 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.95 -0.643 . . . . 0.0 113.497 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 17.9 t -107.16 -45.49 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -126.24 140.86 52.2 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -178.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.07 145.45 34.01 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 176.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 92.9 mt -103.95 143.9 32.24 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -177.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -126.7 127.7 45.55 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 177.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 65.7 t -116.45 121.81 68.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -177.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 83.6 mt -118.64 126.79 75.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.688 178.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -92.45 111.13 22.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.464 -179.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 35.9 m -84.73 -11.31 11.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.834 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.55 -46.58 69.11 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.795 0.331 . . . . 0.0 110.962 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 60.4 tptt -70.41 -39.48 74.45 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.952 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -125.26 84.5 59.56 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.825 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -57.55 -28.87 82.89 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 123.464 2.776 . . . . 0.0 113.476 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' B' ' 56' ' ' GLU . 18.3 pm0 -62.85 -26.13 68.62 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.59 -40.5 95.63 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.777 0.322 . . . . 0.0 110.793 179.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.19 -40.23 95.66 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.967 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -65.37 -36.08 82.91 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.252 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' B' ' 52' ' ' GLN . 78.8 mm-40 -63.36 -38.44 91.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.515 -178.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -102.01 12.66 36.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.611 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 22.1 mttt 50.82 54.11 11.8 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.372 0.42 . . . . 0.0 112.064 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.514 HD11 ' CG ' ' B' ' 13' ' ' TYR . 82.0 mt -84.25 112.36 21.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.887 0.375 . . . . 0.0 110.301 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 40.0 tp -69.86 -42.11 73.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.929 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -154.12 158.02 39.8 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.834 0.349 . . . . 0.0 111.909 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 76.2 p -128.37 154.46 79.15 Favored Pre-proline 0 N--CA 1.463 0.205 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.101 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . 0.427 ' HA ' ' O ' ' B' ' 13' ' ' TYR . 55.4 Cg_endo -68.66 150.55 87.33 Favored 'Cis proline' 0 C--N 1.352 0.713 0 C-N-CA 124.001 -1.25 . . . . 0.0 113.683 0.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.95 132.48 45.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 mp -99.31 128.12 45.4 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.13 144.31 50.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.477 0.656 . . . . 0.0 112.438 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.401 ' HE2' ' O ' ' B' ' 70' ' ' PRO . 86.8 tttt -111.3 121.05 44.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.052 -0.977 . . . . 0.0 109.259 178.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 6.2 m -121.58 -24.93 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 26.5 tp -155.54 129.73 4.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.014 -179.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . 0.401 ' O ' ' HE2' ' B' ' 67' ' ' LYS . 91.3 Cg_endo -80.73 158.22 85.1 Favored 'Cis proline' 0 C--N 1.348 0.538 0 C-N-CA 123.767 -1.347 . . . . 0.0 112.374 -1.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -66.28 165.2 25.33 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.966 2.444 . . . . 0.0 112.115 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.14 160.24 96.46 Favored 'Cis proline' 0 C--N 1.354 0.845 0 C-N-CA 124.363 -1.099 . . . . 0.0 114.205 1.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 20.8 m -75.75 151.79 6.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.942 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.17 148.61 25.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.372 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -129.14 131.02 47.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.755 0.312 . . . . 0.0 110.563 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 80.8 mt -115.62 126.31 73.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.603 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 79.7 mt -111.46 123.66 67.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.023 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -176.02 -177.71 45.25 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.264 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -90.09 103.95 16.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.831 0.348 . . . . 0.0 110.831 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 26.1 tp -65.42 -29.41 70.1 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.619 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 68.0 m -61.9 -31.82 72.15 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.61 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -81.91 112.49 19.07 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . 0.508 ' HA ' ' CG1' ' B' ' 86' ' ' VAL . 72.4 ttp85 -59.96 -34.45 73.28 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.611 -178.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -59.78 -48.07 83.15 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.546 0.212 . . . . 0.0 111.198 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -72.2 -39.62 68.45 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 -179.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.508 ' CG1' ' HA ' ' B' ' 83' ' ' ARG . 7.4 p -60.97 -36.22 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.203 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 59.8 tp -65.01 -40.67 95.25 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 177.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 90.4 mt -60.28 -45.84 95.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.914 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.46 -41.8 97.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.769 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 4.8 mp -69.57 -38.99 77.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.683 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 26.3 mmt85 -62.59 -39.25 93.13 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.593 0.235 . . . . 0.0 110.666 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 88.4 mt -63.28 -40.46 97.44 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.274 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.89 -39.85 95.13 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.631 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.447 ' O ' HG23 ' B' ' 97' ' ' ILE . . . -62.24 -41.92 98.86 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.473 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.82 -42.97 97.54 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.746 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.76 -41.44 71.74 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.822 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.447 HG23 ' O ' ' B' ' 94' ' ' ALA . 7.7 tp -68.36 -28.1 39.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-O 120.836 0.351 . . . . 0.0 111.286 -179.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -88.7 -0.11 82.05 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.399 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 30.5 t0 56.83 47.69 17.48 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 122.906 0.482 . . . . 0.0 111.32 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -106.9 125.52 51.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.377 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -124.24 -163.9 1.2 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.134 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 30.8 t0 58.29 49.77 10.6 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.068 0.461 . . . . 0.0 111.105 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -152.67 158.82 42.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.169 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -157.1 158.61 36.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.289 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -63.2 -42.45 99.32 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.195 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 62.6 pttt . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.783 179.867 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.963 0.411 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . -169.13 165.93 39.3 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.296 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . 0.422 ' HG2' ' OE2' ' B' ' 33' ' ' GLU . 0.0 OUTLIER -91.79 139.16 30.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.907 179.845 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . 0.552 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 88.2 mt -126.79 129.73 71.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.027 179.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 86.1 t -114.69 127.83 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.166 0.508 . . . . 0.0 111.184 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . 0.444 ' CD2' ' HA ' ' A' ' 626' ' ' SER . 67.4 tp -104.12 123.56 47.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.143 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 619' ' ' VAL . . . . . 0.717 HG11 ' OD1' ' A' ' 645' ' ' ASP . 75.6 t -101.76 98.41 6.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.045 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 56.4 m -154.2 150.86 28.53 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.346 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -94.86 -16.61 22.76 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.999 0.428 . . . . 0.0 110.131 178.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -80.91 111.82 17.73 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.523 -178.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 623' ' ' GLU . . . . . 0.477 ' HA ' ' CH2' ' A' ' 642' ' ' TRP . 97.5 mt-10 -63.24 -40.91 98.79 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.468 -0.787 . . . . 0.0 113.075 -178.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.52 92.6 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -178.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 86.2 m -66.86 -43.59 83.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.922 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 626' ' ' SER . . . . . 0.444 ' HA ' ' CD2' ' A' ' 618' ' ' LEU . 69.4 m -63.06 -42.45 99.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.074 -178.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 87.4 m -65.27 -42.01 93.65 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.923 0.392 . . . . 0.0 110.402 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 1.8 tt -62.71 -46.0 90.15 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.894 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 629' ' ' ILE . . . . . . . . . . . . . 34.6 mm -63.08 -42.15 95.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.498 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 95.0 m -60.92 -42.82 98.85 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.757 -178.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 95.2 p -64.91 -37.35 87.33 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.769 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.37 -47.26 90.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-O 120.924 0.393 . . . . 0.0 112.053 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 633' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.77 -37.85 22.08 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -177.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 634' ' ' THR . . . . . 0.73 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 93.4 m -63.22 -44.41 95.39 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -178.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 635' ' ' THR . . . . . . . . . . . . . 1.2 m -72.15 -14.15 61.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.893 0.378 . . . . 0.0 111.314 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -83.16 3.3 31.46 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.832 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 102.83 -7.37 52.98 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.901 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 638' ' ' TYR . . . . . 0.73 ' O ' ' HA ' ' A' ' 634' ' ' THR . 95.2 m-85 -99.54 159.87 14.71 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -116.57 123.63 47.85 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.18 -0.608 . . . . 0.0 109.951 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 640' ' ' VAL . . . . . 0.552 ' HA ' ' O ' ' A' ' 616' ' ' ILE . 59.4 t -105.04 129.09 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.077 -178.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 641' ' ' ILE . . . . . . . . . . . . . 81.4 mt -108.45 124.21 64.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 177.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 642' ' ' TRP . . . . . 0.477 ' CH2' ' HA ' ' A' ' 623' ' ' GLU . 7.6 t90 -97.92 113.49 25.34 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.194 -179.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 82.0 mt -113.98 144.28 43.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.017 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -75.19 142.43 14.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . 0.717 ' OD1' HG11 ' A' ' 619' ' ' VAL . 82.8 m-20 -63.68 152.65 38.47 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -175.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 103.32 -9.5 53.73 Favored Glycine 0 C--N 1.339 0.718 0 CA-C-N 115.079 -0.964 . . . . 0.0 115.196 178.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -114.98 102.28 9.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 118.533 1.167 . . . . 0.0 113.205 -179.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 75.0 t -71.14 -40.88 75.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.006 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 48.6 mp0 -60.03 -38.11 81.77 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.811 0.339 . . . . 0.0 110.229 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 18.4 tpp180 -63.2 -38.44 91.16 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -67.1 -42.25 84.89 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.067 178.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.81 -39.22 93.22 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.205 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -58.97 -39.74 82.65 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.385 0.612 . . . . 0.0 110.943 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 91.2 mt -109.84 30.66 6.49 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.712 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 655' ' ' THR . . . . . . . . . . . . . 5.1 t -41.97 109.57 0.71 Allowed Pre-proline 0 N--CA 1.469 0.488 0 CA-C-O 121.95 0.881 . . . . 0.0 112.16 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -87.01 -177.89 2.36 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 123.774 2.983 . . . . 0.0 113.283 -178.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 47.3 pt -83.83 -19.29 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.643 177.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -152.63 144.95 23.98 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.576 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 70.5 t -115.28 126.17 72.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.017 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 76.7 mt -108.7 121.57 45.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.541 -179.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . 0.416 HD21 ' O ' ' A' ' 689' ' ' PHE . 0.7 OUTLIER -109.64 124.14 50.67 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 177.44 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -126.27 147.28 49.73 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -177.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . 0.468 ' OE1' ' HA ' ' A' ' 664' ' ' PRO . 12.1 mm-40 -78.04 153.78 80.07 Favored Pre-proline 0 CA--C 1.53 0.187 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.796 178.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 664' ' ' PRO . . . . . 0.468 ' HA ' ' OE1' ' A' ' 663' ' ' GLU . 67.0 Cg_endo -90.07 140.37 13.68 Favored 'Cis proline' 0 C--N 1.346 0.447 0 C-N-CA 123.769 -1.346 . . . . 0.0 112.732 -1.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -115.11 85.63 2.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.207 0.527 . . . . 0.0 110.624 178.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 95.1 p -83.79 -12.18 56.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.014 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -119.45 115.99 25.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.024 0.44 . . . . 0.0 110.788 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 92.3 148.26 22.38 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.523 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -96.26 115.25 27.14 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 670' ' ' VAL . . . . . 0.465 ' O ' HG21 ' A' ' 674' ' ' VAL . 31.5 m -62.31 -33.88 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.85 -40.48 96.68 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 55.1 tp10 -64.18 -43.32 95.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.679 178.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 57.3 tp -62.36 -45.61 92.42 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.231 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . 0.465 HG21 ' O ' ' A' ' 670' ' ' VAL . 56.1 t -61.39 -45.5 98.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.767 179.006 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 675' ' ' ASP . . . . . 0.468 ' O ' ' HG3' ' A' ' 679' ' ' GLN . 34.3 t70 -61.02 -42.88 99.31 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.987 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -64.64 -40.67 95.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.265 179.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.89 -40.94 95.89 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 678' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 675' ' ' ASP . 16.4 ptm180 -68.51 -24.56 64.67 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.655 0.264 . . . . 0.0 111.518 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' ' 675' ' ' ASP . 77.5 mt-30 -66.17 -38.27 87.66 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.932 0.396 . . . . 0.0 110.837 178.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.97 -45.86 9.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.282 -178.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 681' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 678' ' ' ARG . 77.9 m -120.67 131.68 54.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.87 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 65.8 p -73.77 157.91 86.77 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.102 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -55.64 -35.04 92.19 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 122.992 2.462 . . . . 0.0 113.352 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -69.88 -21.07 63.36 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 120.752 0.311 . . . . 0.0 110.936 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -98.26 -36.3 10.07 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.44 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 686' ' ' LEU . . . . . . . . . . . . . 64.4 tp -128.79 130.25 46.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.61 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -99.6 142.98 30.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 110.731 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 688' ' ' ILE . . . . . . . . . . . . . 81.2 mt -118.93 126.44 75.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.275 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 689' ' ' PHE . . . . . 0.416 ' O ' HD21 ' A' ' 661' ' ' LEU . 90.0 m-85 -127.61 143.33 51.18 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 86.8 mt -121.29 129.14 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.011 0.434 . . . . 0.0 110.864 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 691' ' ' LEU . . . . . 0.409 ' HG ' ' HB ' ' A' ' 704' ' ' ILE . 4.1 mp -94.09 128.09 40.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.411 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 78.78 20.25 71.34 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.919 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 47.2 t -66.74 140.63 57.88 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.824 0.345 . . . . 0.0 111.064 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -63.36 -39.34 94.25 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.226 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . -157.08 -166.73 17.11 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.63 -179.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -87.24 112.35 21.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.699 0.285 . . . . 0.0 110.562 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -108.13 151.28 26.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.977 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -67.48 143.98 55.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.759 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 91.37 -6.53 80.78 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.027 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 57.6 t -112.65 122.69 67.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -66.49 -43.52 85.16 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.876 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 702' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 702' ' ' ARG . 0.0 OUTLIER -159.03 150.81 20.74 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.199 -179.334 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -114.35 148.94 36.84 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 178.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 704' ' ' ILE . . . . . 0.409 ' HB ' ' HG ' ' A' ' 691' ' ' LEU . 16.0 mm -102.17 116.25 63.39 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -179.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.11 158.7 48.88 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.821 2.347 . . . . 0.0 113.082 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . 0.511 ' HA ' ' C ' ' A' ' 707' ' ' PRO . 96.5 mt -117.53 152.93 50.18 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.329 179.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 707' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 706' ' ' LEU . 36.9 Cg_endo -64.5 149.68 72.18 Favored 'Cis proline' 0 C--N 1.353 0.78 0 C-N-CA 123.747 -1.355 . . . . 0.0 113.047 0.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 708' ' ' ILE . . . . . 0.459 HD12 HG22 ' A' ' 708' ' ' ILE . 13.3 tt -76.75 130.63 36.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.383 -178.308 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -117.34 132.65 23.43 Favored Pre-proline 0 C--N 1.328 -0.351 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 178.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -52.17 -50.11 15.11 Favored 'Trans proline' 0 N--CA 1.476 0.493 0 C-N-CA 122.82 2.346 . . . . 0.0 113.865 -178.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.59 -43.39 97.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.158 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 69.0 m -63.97 -45.58 88.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.903 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 713' ' ' PHE . . . . . 0.453 ' O ' HG21 ' A' ' 717' ' ' VAL . 83.1 t80 -60.18 -49.17 78.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.09 179.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 2.1 tt -61.54 -43.74 98.31 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -63.82 -42.97 97.54 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -65.94 -41.07 91.76 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 121.136 -0.225 . . . . 0.0 111.277 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 717' ' ' VAL . . . . . 0.698 ' O ' ' HG ' ' A' ' 721' ' ' LEU . 57.9 t -65.02 -45.3 94.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.931 179.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 89.0 m -60.64 -46.42 90.38 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.611 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -63.77 -34.14 77.23 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.813 0.339 . . . . 0.0 110.987 179.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -74.56 -14.77 80.87 Favored Glycine 0 CA--C 1.524 0.656 0 C-N-CA 121.18 -0.533 . . . . 0.0 112.906 179.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 721' ' ' LEU . . . . . 0.698 ' HG ' ' O ' ' A' ' 717' ' ' VAL . 93.6 mt -86.88 0.44 54.96 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 39.1 p -64.3 -19.59 65.52 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 8.6 t 65.19 -145.14 0.23 Allowed 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.352 0.407 . . . . 0.0 111.393 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 724' ' ' LEU . . . . . . . . . . . . . 75.6 mt -62.89 -43.28 99.21 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -163.13 154.96 17.78 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.793 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 84.8 m -123.56 129.34 51.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.403 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 97.6 p -149.96 160.96 43.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.597 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -147.38 153.91 40.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.627 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.646 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.8 mmt . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 120.968 0.413 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.48 103.64 55.44 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.147 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -59.07 -36.65 95.9 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.169 2.58 . . . . 0.0 112.746 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.8 -159.76 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.72 154.93 37.59 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.86 110.12 13.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.074 0.464 . . . . 0.0 111.531 -178.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 82.8 p -78.76 161.45 26.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.658 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.49 143.04 26.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.58 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 61.5 t -117.88 121.28 67.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.116 0.484 . . . . 0.0 111.576 -178.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 57.8 tp -103.99 126.57 51.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.645 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.4 ' HE2' ' HZ3' ' B' ' 43' ' ' LYS . 99.2 mttt -103.06 141.39 35.9 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.299 0.571 . . . . 0.0 112.458 -178.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 68.8 tp -128.15 119.98 26.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.328 178.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -101.06 126.17 47.72 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 178.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 31.2 m -135.63 170.18 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.333 -178.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.487 ' CB ' ' HB2' ' B' ' 48' ' ' LEU . . . -142.18 136.7 30.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.723 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.93 166.68 42.66 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.8 -0.715 . . . . 0.0 113.541 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -115.53 20.01 15.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.948 0.404 . . . . 0.0 110.344 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 58.1 p -70.52 156.4 91.98 Favored Pre-proline 0 C--O 1.233 0.236 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.421 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -54.58 -37.35 90.67 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 123.17 2.58 . . . . 0.0 113.679 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -61.55 -43.86 98.09 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.859 0.362 . . . . 0.0 110.814 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 66.4 m -67.17 -39.66 86.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.443 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 62.2 t -66.93 -45.01 88.29 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.966 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -63.16 -40.62 98.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.261 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.31 -40.72 91.55 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.93 0.395 . . . . 0.0 110.552 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 47.4 tp -61.49 -44.52 96.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.286 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -63.26 -39.34 94.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.836 178.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 93.0 m -63.22 -46.34 87.41 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.109 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 65.2 tp -63.27 -44.9 93.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.407 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.415 ' O ' ' HG3' ' B' ' 33' ' ' GLU . . . -61.71 -40.02 93.56 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.754 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -59.14 -44.17 92.06 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.808 0.337 . . . . 0.0 111.131 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 97.2 mt -67.56 -42.18 86.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.733 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.65 -39.1 91.05 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.301 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.422 ' OE2' ' HG2' ' A' ' 615' ' ' ARG . 97.2 mt-10 -63.87 -36.77 85.02 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -179.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.13 -58.77 2.42 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -177.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 52.0 mp0 -92.07 -9.43 42.72 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 -176.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.81 33.05 4.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 118.644 0.656 . . . . 0.0 112.417 -178.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -80.3 138.82 36.8 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -178.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 634' ' ' THR . . . 82.87 -0.66 89.49 Favored Glycine 0 C--N 1.334 0.433 0 N-CA-C 114.979 0.752 . . . . 0.0 114.979 177.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.6 m -131.5 -25.25 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 118.088 0.944 . . . . 0.0 113.254 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -124.18 136.45 54.2 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -178.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.68 147.47 35.49 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 177.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 64.1 tp -109.81 136.75 48.62 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -177.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 642' ' ' TRP . 51.8 mtpt -119.96 133.89 55.41 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.534 177.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 57.8 t -126.45 128.67 71.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.907 0.384 . . . . 0.0 111.538 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 4.3 mp -125.55 134.74 65.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.371 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -92.79 106.0 18.04 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 29.6 m -84.11 -12.79 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.487 ' HB2' ' CB ' ' B' ' 15' ' ' ALA . 60.8 tp -63.96 -46.04 86.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.695 0.283 . . . . 0.0 111.326 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.98 -38.94 66.48 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.38 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -124.09 89.94 51.25 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.551 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -63.76 -22.91 69.47 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.783 2.322 . . . . 0.0 113.315 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.451 ' O ' ' HG2' ' B' ' 56' ' ' GLU . 18.5 pm0 -66.45 -27.88 68.16 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.775 -0.193 . . . . 0.0 111.242 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 93.8 mt -65.78 -41.24 92.26 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.95 0.405 . . . . 0.0 110.571 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.29 -39.4 92.5 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.645 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.29 -34.9 77.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.144 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' B' ' 52' ' ' GLN . 79.2 mm-40 -62.79 -38.4 90.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.408 -179.406 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -104.26 15.28 28.65 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 121.156 -0.218 . . . . 0.0 111.562 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 56.72 47.41 18.26 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 44.8 mm -103.91 117.23 49.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 90.2 mt -111.28 1.78 17.33 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -149.44 160.34 43.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.439 0.161 . . . . 0.0 111.2 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 44.3 p -142.88 149.4 49.51 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.159 179.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -77.92 147.1 82.83 Favored 'Cis proline' 0 C--N 1.349 0.585 0 C-N-CA 123.392 -1.503 . . . . 0.0 112.783 -1.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 77.9 m -128.61 132.83 48.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.858 0.361 . . . . 0.0 110.869 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 26.4 tp -99.25 123.23 43.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.698 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -114.11 134.61 54.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.313 0.577 . . . . 0.0 112.304 -178.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -102.0 119.98 39.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.886 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 58.6 t -114.9 -55.49 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.858 0.361 . . . . 0.0 110.991 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 84.5 mt -124.22 131.62 24.22 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.468 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -80.22 159.09 86.78 Favored 'Cis proline' 0 C--N 1.348 0.548 0 C-N-CA 123.704 -1.373 . . . . 0.0 112.287 -1.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -73.64 165.95 31.01 Favored 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 122.793 2.329 . . . . 0.0 112.182 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -72.5 159.02 96.97 Favored 'Cis proline' 0 C--N 1.353 0.792 0 C-N-CA 124.267 -1.139 . . . . 0.0 114.08 1.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 18.7 m -74.68 140.5 17.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.091 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -136.25 151.82 50.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.088 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -119.72 124.98 47.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.999 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 80.2 mt -115.7 118.68 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.89 0.376 . . . . 0.0 110.811 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 83.8 mt -120.28 125.7 74.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.004 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 169.73 -167.06 40.21 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.035 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -77.65 93.96 4.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.084 0.468 . . . . 0.0 110.597 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 96.2 mt -81.43 -6.65 59.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 89.2 p -73.53 -13.86 61.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.45 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.4 ' O ' HG21 ' B' ' 86' ' ' VAL . 56.3 t-20 -91.81 108.69 20.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.052 179.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 45.0 ttm180 -60.36 -37.69 81.5 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.643 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -58.34 -48.21 81.3 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -70.08 -41.88 73.51 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.4 HG21 ' O ' ' B' ' 82' ' ' ASN . 76.5 t -61.01 -41.99 91.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.696 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 64.2 tp -59.93 -43.2 95.07 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 83.3 mt -61.18 -48.06 90.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.523 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.87 -45.16 93.87 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 80.1 mt -69.18 -37.75 78.31 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 47.0 tpt85 -61.17 -39.57 90.63 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.663 0.268 . . . . 0.0 110.568 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.55 -38.56 90.5 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.247 178.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.93 -36.96 85.15 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.822 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.456 ' O ' HG21 ' B' ' 97' ' ' ILE . . . -60.41 -40.53 91.3 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.254 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -63.88 -41.31 97.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.29 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -62.56 -45.25 93.79 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.525 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.456 HG21 ' O ' ' B' ' 94' ' ' ALA . 20.8 tt -75.07 -32.89 27.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 120.986 -0.285 . . . . 0.0 111.338 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -63.58 -37.75 95.24 Favored Glycine 0 C--N 1.334 0.44 0 C-N-CA 121.375 -0.44 . . . . 0.0 113.023 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -83.68 74.93 10.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.971 0.415 . . . . 0.0 110.948 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -128.59 127.61 42.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.109 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 10.8 ptpp? -148.06 160.62 42.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.752 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -157.76 161.48 38.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.086 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -155.12 157.03 36.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.616 -0.266 . . . . 0.0 110.37 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -157.32 160.67 38.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.249 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -155.56 159.55 39.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.333 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 58.8 mtmt . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.865 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.916 0.388 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . 102.03 155.49 25.97 Favored Glycine 0 CA--C 1.518 0.237 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.952 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 76.4 mtt85 -85.56 146.57 26.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.051 0.453 . . . . 0.0 111.746 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . 0.487 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 97.8 mt -122.75 127.57 74.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.17 177.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 93.2 t -112.76 125.61 70.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.389 0.614 . . . . 0.0 111.893 -179.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.14 115.8 30.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.65 178.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 61.3 t -111.65 109.5 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.041 0.448 . . . . 0.0 110.406 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 87.2 p -164.63 165.7 20.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.301 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -96.76 -11.0 25.59 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.95 0.405 . . . . 0.0 110.036 178.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -93.43 108.07 19.81 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.977 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -63.7 -38.03 89.58 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.917 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -59.46 -45.5 91.45 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -177.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 95.2 m -63.62 -44.99 92.32 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.027 0.441 . . . . 0.0 110.442 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 48.4 t -63.39 -44.49 94.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.812 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 86.2 m -59.9 -46.69 88.54 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.778 0.323 . . . . 0.0 110.775 -178.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 63.6 tp -63.11 -45.09 93.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.494 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 629' ' ' ILE . . . . . . . . . . . . . 3.5 tp -70.19 -31.65 48.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -178.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 79.7 m -62.52 -44.2 96.94 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.994 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 88.9 p -65.69 -37.31 86.11 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.974 -0.291 . . . . 0.0 111.248 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.35 -46.95 91.63 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 633' ' ' LEU . . . . . . . . . . . . . 96.2 mt -84.06 -37.48 22.04 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -178.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 634' ' ' THR . . . . . 0.7 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 95.4 m -62.76 -46.01 90.01 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -177.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 635' ' ' THR . . . . . . . . . . . . . 1.1 m -71.73 -15.42 62.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.951 0.405 . . . . 0.0 111.45 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -81.07 0.56 35.45 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.606 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 105.76 -2.19 38.96 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.751 -0.737 . . . . 0.0 113.244 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 638' ' ' TYR . . . . . 0.7 ' O ' ' HA ' ' A' ' 634' ' ' THR . 80.6 m-85 -99.82 153.56 19.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.849 0.357 . . . . 0.0 110.724 179.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -106.78 112.55 25.57 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 640' ' ' VAL . . . . . 0.487 ' HA ' ' O ' ' A' ' 616' ' ' ILE . 61.4 t -102.41 129.63 53.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 112.675 0.621 . . . . 0.0 112.675 -178.225 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 641' ' ' ILE . . . . . . . . . . . . . 81.5 mt -120.71 127.76 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.115 178.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 642' ' ' TRP . . . . . 0.411 ' HB3' ' HG2' ' B' ' 43' ' ' LYS . 72.5 t90 -97.15 122.58 40.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.072 0.463 . . . . 0.0 111.471 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 89.6 mt -119.78 139.94 51.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.344 178.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 2.0 t -75.48 143.73 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -62.72 147.93 48.17 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -177.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 103.02 -5.54 50.24 Favored Glycine 0 C--N 1.335 0.52 0 CA-C-N 115.464 -0.789 . . . . 0.0 113.954 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -114.0 94.11 4.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 117.648 0.724 . . . . 0.0 112.349 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 78.7 t -70.71 -42.02 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.223 178.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 16.8 pm0 -57.75 -31.53 66.58 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 121.184 -0.206 . . . . 0.0 111.276 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 89.0 mmt-85 -67.55 -38.94 84.9 Favored 'General case' 0 C--O 1.231 0.13 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 95.5 mt -66.56 -40.65 89.1 Favored 'General case' 0 C--O 1.228 -0.071 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.423 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 67.3 tp -66.33 -43.91 84.84 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.493 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -60.28 -39.7 87.81 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.854 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 86.7 mt -109.04 30.22 6.77 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 655' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -32.24 103.25 0.21 Allowed Pre-proline 0 N--CA 1.477 0.918 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -178.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -87.58 176.92 3.89 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.722 2.948 . . . . 0.0 112.8 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 45.8 pt -82.88 -23.64 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.587 0.708 . . . . 0.0 109.179 177.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -150.63 143.55 24.67 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.222 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 69.7 t -111.55 124.26 68.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.988 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 76.1 mt -106.38 119.74 40.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.467 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 74.1 mt -108.2 124.93 51.03 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -128.63 147.52 50.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.072 0.463 . . . . 0.0 111.618 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -73.87 157.16 87.58 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.8 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 664' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -85.04 161.07 65.01 Favored 'Cis proline' 0 C--N 1.351 0.667 0 C-N-CA 124.223 -1.157 . . . . 0.0 113.596 -0.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -113.63 103.79 11.59 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 76.9 p -99.35 -21.62 15.94 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -118.97 110.83 17.59 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.45 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 86.71 162.56 37.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.906 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -96.23 145.9 25.16 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 74.2 t -60.62 -45.65 97.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 120.685 0.278 . . . . 0.0 110.815 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 19.2 pm0 -65.44 -29.99 70.74 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.041 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -68.4 -46.33 70.27 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.102 0.477 . . . . 0.0 110.768 179.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 58.9 tp -65.82 -44.49 85.42 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.011 -178.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 34.8 m -66.28 -36.87 78.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.818 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.66 -43.03 94.9 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.331 178.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -65.2 -40.02 93.62 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.856 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 84.5 mt -64.05 -39.3 93.77 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.6 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -61.93 -38.84 89.94 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.217 0.532 . . . . 0.0 110.027 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -64.65 -36.12 83.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.398 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 88.7 mmt-85 -85.64 -41.31 15.32 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.902 -178.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 71.8 m -132.08 144.66 50.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.71 0.291 . . . . 0.0 111.084 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 56.6 p -73.22 157.41 88.29 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.716 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -55.01 -37.83 93.65 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 122.948 2.432 . . . . 0.0 113.466 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -75.01 -33.17 61.78 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.372 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -72.3 -37.84 68.88 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.788 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 686' ' ' LEU . . . . . . . . . . . . . 67.0 tp -133.09 129.97 38.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.722 0.296 . . . . 0.0 111.209 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -96.9 139.88 32.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.398 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 688' ' ' ILE . . . . . . . . . . . . . 81.6 mt -120.21 127.47 75.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.653 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -125.13 144.72 50.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.712 0.291 . . . . 0.0 110.572 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 86.9 mt -118.4 125.69 74.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.948 0.404 . . . . 0.0 110.35 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 9.6 mp -106.62 136.91 45.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.112 -179.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 84.8 4.25 87.43 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.942 178.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 45.1 t -137.75 144.09 41.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 117.191 0.496 . . . . 0.0 110.698 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -133.26 132.49 41.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.497 . . . . 0.0 109.996 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . -177.05 -163.46 29.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.084 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -132.44 77.58 1.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.962 0.41 . . . . 0.0 110.807 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -125.76 133.03 52.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.98 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -69.37 153.72 43.14 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.975 0.417 . . . . 0.0 111.935 -179.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 105.52 -6.37 41.69 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.864 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 700' ' ' VAL . . . . . 0.463 HG11 ' CZ ' ' A' ' 703' ' ' TYR . 8.3 p -120.37 136.61 56.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.82 0.343 . . . . 0.0 110.362 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -70.31 -42.24 72.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.355 -0.384 . . . . 0.0 112.004 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 30.0 ttt85 -166.15 157.86 13.8 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.8 0.333 . . . . 0.0 111.553 -178.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 703' ' ' TYR . . . . . 0.463 ' CZ ' HG11 ' A' ' 700' ' ' VAL . 96.6 m-85 -108.17 139.05 43.42 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.662 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 4.5 mp -116.33 93.49 39.74 Favored Pre-proline 0 CA--C 1.534 0.361 0 CA-C-O 120.984 0.421 . . . . 0.0 110.266 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -63.63 149.84 89.93 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 123.529 2.819 . . . . 0.0 113.101 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . 0.438 ' HA ' ' C ' ' A' ' 707' ' ' PRO . 4.0 mp -100.4 159.49 29.56 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.215 179.125 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 707' ' ' PRO . . . . . 0.438 ' C ' ' HA ' ' A' ' 706' ' ' LEU . 37.8 Cg_endo -64.52 148.92 71.27 Favored 'Cis proline' 0 C--N 1.355 0.894 0 C-N-CA 124.076 -1.218 . . . . 0.0 113.345 1.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 708' ' ' ILE . . . . . . . . . . . . . 16.6 tt -84.62 133.84 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.858 -178.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -113.58 132.69 22.42 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -52.57 -57.29 2.16 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.153 2.569 . . . . 0.0 114.624 -177.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -66.05 -32.55 74.08 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 66.1 m -70.23 -45.89 65.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.872 0.368 . . . . 0.0 111.066 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 713' ' ' PHE . . . . . 0.416 ' O ' HG21 ' A' ' 717' ' ' VAL . 86.1 t80 -59.65 -49.6 77.11 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.644 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 62.8 tp -61.38 -45.56 93.87 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 715' ' ' GLN . . . . . 0.505 ' O ' HG21 ' A' ' 718' ' ' THR . 56.4 mt-30 -65.89 -40.8 91.88 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.364 -179.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -65.0 -44.29 89.75 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.724 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 717' ' ' VAL . . . . . 0.46 ' O ' HD12 ' A' ' 721' ' ' LEU . 60.1 t -65.88 -43.38 93.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.264 178.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 718' ' ' THR . . . . . 0.505 HG21 ' O ' ' A' ' 715' ' ' GLN . 0.6 OUTLIER -60.65 -38.37 84.62 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 120.743 0.306 . . . . 0.0 110.955 -179.387 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 66.9 ttp -63.47 -43.81 96.26 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.642 178.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -63.43 -38.43 96.36 Favored Glycine 0 CA--C 1.522 0.491 0 C-N-CA 121.111 -0.566 . . . . 0.0 112.741 178.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 721' ' ' LEU . . . . . 0.46 HD12 ' O ' ' A' ' 717' ' ' VAL . 6.9 mp -68.33 -7.99 36.01 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -179.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 71.0 p -66.15 -21.97 66.36 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 118.024 0.375 . . . . 0.0 111.646 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 64.5 m -89.25 -6.73 56.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 110.639 179.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 724' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.22 -36.65 7.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.646 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -137.99 155.72 48.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 65.5 p -68.51 -25.72 65.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.134 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 93.1 p -147.52 157.83 43.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.658 0.266 . . . . 0.0 110.858 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -152.54 157.99 41.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.407 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.861 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 95.8 mmm . . . . . 0 N--CA 1.489 1.497 0 CA-C-O 120.647 0.26 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.62 62.21 11.36 Favored Pre-proline 0 N--CA 1.47 0.551 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.403 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -58.29 -38.49 90.55 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 122.876 2.384 . . . . 0.0 113.161 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -134.53 167.35 20.95 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.154 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 88.6 mtm-85 60.97 -143.27 0.49 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.362 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt 56.62 37.52 28.88 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.01 0.524 . . . . 0.0 112.338 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 78.6 p -84.22 159.85 20.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.26 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.451 ' O ' ' HB2' ' B' ' 40' ' ' TYR . . . -95.72 154.02 17.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.261 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 93.0 t -112.9 118.33 57.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 65.7 tp -108.03 126.04 52.26 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.076 177.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -105.65 138.7 41.4 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.301 0.572 . . . . 0.0 112.054 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.42 117.38 24.31 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.771 179.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -99.09 127.96 45.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.305 179.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.6 m -135.44 168.18 23.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.522 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.52 142.26 29.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.872 0.367 . . . . 0.0 111.629 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.27 174.75 50.11 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.866 -0.606 . . . . 0.0 113.604 178.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -113.25 22.36 14.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.814 0.34 . . . . 0.0 110.584 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 72.8 p -71.09 154.12 94.19 Favored Pre-proline 0 C--O 1.235 0.308 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.67 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -62.67 -26.51 75.51 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.221 1.947 . . . . 0.0 112.569 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -62.21 -41.92 98.83 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.979 0.419 . . . . 0.0 109.964 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 74.6 m -70.54 -39.33 74.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.573 178.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.607 ' O ' ' HG3' ' B' ' 26' ' ' LYS . 56.4 t -63.84 -48.79 84.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.823 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -65.14 -35.68 81.87 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.17 -40.74 86.56 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.809 0.337 . . . . 0.0 111.168 -179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.31 -39.36 71.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.961 179.252 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.607 ' HG3' ' O ' ' B' ' 22' ' ' VAL . 31.6 mtpt -65.56 -41.94 92.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.028 -178.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 55.9 p -71.71 -39.66 70.01 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.662 0.268 . . . . 0.0 111.327 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.8 tt -66.1 -43.01 88.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.71 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.33 98.4 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.239 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -61.96 -46.12 90.69 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.896 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 92.3 mt -65.63 -43.72 93.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.725 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 53.1 tp -62.66 -47.31 84.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.328 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.672 ' O ' ' HB2' ' B' ' 37' ' ' LYS . 86.6 tt0 -63.71 -41.94 98.01 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -179.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 29.9 tptp -78.98 -52.0 8.84 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -178.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.462 ' O ' ' HD1' ' B' ' 36' ' ' PHE . 53.7 tp10 -74.27 -47.98 31.52 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 -177.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . 0.462 ' HD1' ' O ' ' B' ' 35' ' ' GLU . 0.4 OUTLIER -132.37 69.46 1.48 Allowed 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -177.516 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.672 ' HB2' ' O ' ' B' ' 33' ' ' GLU . 40.2 ttpt -80.01 125.59 29.96 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.287 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.73 -9.89 75.6 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 121.089 -0.577 . . . . 0.0 114.441 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 79.4 t -70.83 -44.65 75.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 117.171 0.485 . . . . 0.0 111.982 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . 0.451 ' HB2' ' O ' ' B' ' 8' ' ' ALA . 53.9 p90 -151.13 164.67 35.96 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.81 155.45 18.13 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.594 -178.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 67.6 tp -116.06 131.21 57.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.829 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.411 ' HG2' ' HB3' ' A' ' 642' ' ' TRP . 98.5 mttt -119.19 133.54 55.71 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 57.8 t -121.54 127.98 75.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 121.077 0.465 . . . . 0.0 112.133 -178.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 4.8 mp -122.9 133.1 69.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.204 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -93.41 115.51 28.05 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.23 -45.72 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -178.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 89.0 mt -64.55 -38.85 92.45 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -179.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -70.1 -40.08 75.14 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.612 0.244 . . . . 0.0 111.244 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -129.39 78.61 75.47 Favored Pre-proline 0 C--O 1.233 0.226 0 CA-C-N 116.773 -0.194 . . . . 0.0 110.645 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_exo -56.04 -34.12 91.54 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.19 2.594 . . . . 0.0 112.918 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.495 ' O ' ' HG2' ' B' ' 56' ' ' GLU . 19.9 pm0 -63.61 -31.75 73.01 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.955 -179.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 84.2 mt -70.47 -40.72 73.49 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.893 0.378 . . . . 0.0 110.415 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.3 -39.42 93.88 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.419 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.55 -35.15 79.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.359 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' B' ' 52' ' ' GLN . 79.4 mm-40 -65.55 -38.71 90.39 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.395 -179.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -98.92 11.08 39.95 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.549 0.214 . . . . 0.0 111.372 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 55.59 47.04 21.65 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 122.859 0.463 . . . . 0.0 112.047 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 47.6 mm -87.18 117.68 31.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.341 . . . . 0.0 110.666 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.9 mp -115.39 -7.14 12.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.659 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -147.92 149.27 31.92 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.68 0.276 . . . . 0.0 111.258 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 67.3 p -134.32 153.06 79.15 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.607 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -72.88 150.88 96.24 Favored 'Cis proline' 0 C--N 1.349 0.574 0 C-N-CA 123.753 -1.353 . . . . 0.0 112.87 -0.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.54 126.9 44.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.538 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 6.5 tt -99.54 117.6 34.29 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.56 130.02 56.51 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -178.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -98.42 119.48 37.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.315 177.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 46.3 t -106.91 -57.03 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.745 0.307 . . . . 0.0 111.397 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 83.5 mt -128.82 136.79 29.7 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.737 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -80.59 157.58 85.7 Favored 'Cis proline' 0 C--N 1.347 0.469 0 C-N-CA 123.69 -1.379 . . . . 0.0 112.342 -1.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.2 165.7 31.3 Favored 'Trans proline' 0 CA--C 1.533 0.465 0 C-N-CA 122.691 2.261 . . . . 0.0 112.068 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -70.94 157.86 95.03 Favored 'Cis proline' 0 C--N 1.353 0.798 0 C-N-CA 124.394 -1.086 . . . . 0.0 114.124 1.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 25.7 m -77.78 139.35 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.276 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -134.15 151.12 51.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.452 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -129.21 129.38 44.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.809 0.338 . . . . 0.0 110.762 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 83.6 mt -117.53 125.52 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.168 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 80.1 mt -115.31 125.0 72.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.186 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.65 -178.15 47.78 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.518 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -88.33 109.29 19.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.668 0.27 . . . . 0.0 110.542 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 95.7 mt -88.11 2.51 51.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.813 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 69.2 m -64.13 -32.67 74.32 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.179 0.514 . . . . 0.0 110.351 178.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.441 ' OD1' ' HB3' ' B' ' 84' ' ' GLU . 28.6 t-20 -86.38 114.57 23.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.427 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -60.09 -38.4 82.82 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.23 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . 0.441 ' HB3' ' OD1' ' B' ' 82' ' ' ASN . 88.8 tt0 -58.22 -47.29 83.96 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 120.53 0.205 . . . . 0.0 110.947 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -66.18 -36.95 84.42 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.528 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 82' ' ' ASN . 77.4 t -60.65 -43.28 94.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 67.2 tp -60.76 -43.78 97.59 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.8 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 92.6 mt -61.7 -48.18 89.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.129 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.23 -42.16 96.68 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.035 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 6.2 mp -71.24 -30.84 66.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.461 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 18.1 tpp85 -61.38 -40.69 95.25 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.853 0.358 . . . . 0.0 110.097 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.52 -40.28 96.64 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.932 178.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.66 -39.62 94.01 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.264 178.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.535 ' O ' HG23 ' B' ' 97' ' ' ILE . . . -62.18 -40.55 96.4 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.125 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.32 -39.75 94.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.673 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -64.6 -40.97 96.47 Favored 'General case' 0 N--CA 1.461 0.103 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.7 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.535 HG23 ' O ' ' B' ' 94' ' ' ALA . 11.1 tp -76.41 -34.11 24.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.998 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -63.96 -38.48 96.13 Favored Glycine 0 C--N 1.337 0.589 0 C-N-CA 121.066 -0.588 . . . . 0.0 112.32 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -136.51 97.78 3.65 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -69.88 131.24 44.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.135 -178.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -104.99 142.47 34.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.581 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -155.9 159.97 39.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.208 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 31.0 t0 56.89 47.13 18.42 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 123.56 0.538 . . . . 0.0 111.361 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -90.47 104.18 16.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.484 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -156.37 159.05 38.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.281 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 88.2 tttt . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.374 -0.822 . . . . 0.0 110.507 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.983 0.421 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . -122.35 145.01 16.39 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.65 -0.785 . . . . 0.0 112.61 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . 0.443 ' HB2' ' HA ' ' A' ' 656' ' ' PRO . 99.8 mtt180 -75.99 130.84 39.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.482 0.182 . . . . 0.0 110.68 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . 0.429 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 49.6 mm -124.71 126.84 72.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.612 179.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 617' ' ' VAL . . . . . 0.53 ' CG2' ' HG3' ' A' ' 656' ' ' PRO . 20.5 m -125.3 147.12 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 110.174 178.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 1.5 tt -124.95 131.46 53.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.92 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 59.3 t -117.21 123.54 71.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 9.5 t -163.81 179.77 6.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.629 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -109.34 -11.68 14.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.356 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -96.53 106.77 19.08 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.804 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 25.6 pm0 -71.55 -19.65 62.13 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -62.56 -40.72 97.75 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -178.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.17 -22.0 53.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.259 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 51.8 m -61.5 -45.59 93.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.208 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 86.6 m -65.47 -42.79 91.89 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.775 0.322 . . . . 0.0 111.338 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.25 -46.94 75.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.634 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 629' ' ' ILE . . . . . 0.406 HG13 ' CZ ' ' A' ' 713' ' ' PHE . 1.0 OUTLIER -65.85 -41.89 91.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.718 -178.882 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 630' ' ' CYS . . . . . 0.437 ' SG ' HG13 ' A' ' 640' ' ' VAL . 92.9 m -62.49 -42.99 99.87 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.126 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 631' ' ' SER . . . . . 0.478 ' O ' HG23 ' A' ' 635' ' ' THR . 49.5 m -65.36 -43.13 91.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.415 -179.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 91.2 mt -62.15 -47.83 91.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -178.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 633' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.45 -38.23 41.72 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -178.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 634' ' ' THR . . . . . . . . . . . . . 93.6 m -63.4 -44.77 93.74 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 635' ' ' THR . . . . . 0.544 HG21 ' O ' ' B' ' 4' ' ' LEU . 12.1 t -66.61 -17.41 64.82 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.692 0.282 . . . . 0.0 111.467 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -87.43 -0.24 56.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.378 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 94.95 9.12 58.63 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.71 -0.757 . . . . 0.0 113.199 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 638' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -96.62 147.19 24.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.967 0.383 . . . . 0.0 110.886 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 21.5 tm0? -84.99 127.63 34.27 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 179.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 640' ' ' VAL . . . . . 0.437 HG13 ' SG ' ' A' ' 630' ' ' CYS . 59.0 t -127.29 127.37 69.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -177.194 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 641' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' B' ' 42' ' ' LEU . 85.3 mt -126.68 127.24 69.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.035 177.242 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 642' ' ' TRP . . . . . 0.421 ' HB3' ' HG2' ' B' ' 43' ' ' LYS . 28.6 t-105 -93.67 116.43 28.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.342 -0.39 . . . . 0.0 109.957 179.003 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 89.5 mt -114.51 138.38 50.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.752 0.311 . . . . 0.0 110.591 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 2.4 m -80.16 148.96 5.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.269 0.557 . . . . 0.0 110.943 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -64.9 146.36 55.04 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -178.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 103.04 -12.29 55.88 Favored Glycine 0 C--N 1.337 0.592 0 N-CA-C 115.168 0.827 . . . . 0.0 115.168 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -114.62 113.49 24.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 118.31 1.055 . . . . 0.0 112.907 -179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . 0.428 HG21 ' OE1' ' A' ' 676' ' ' GLN . 58.5 t -83.95 -35.26 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.487 178.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 46.7 mp0 -58.73 -37.08 75.39 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 14.9 mmp_? -62.28 -38.75 90.53 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -70.69 -44.24 67.4 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.925 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 68.3 tp -64.91 -46.23 82.59 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.79 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.5 85.72 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.291 0.567 . . . . 0.0 111.572 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 91.0 mt -106.64 30.03 6.42 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.08 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 655' ' ' THR . . . . . . . . . . . . . 4.5 t -42.2 106.18 0.44 Allowed Pre-proline 0 N--CA 1.471 0.622 0 CA-C-O 121.915 0.864 . . . . 0.0 112.764 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 656' ' ' PRO . . . . . 0.53 ' HG3' ' CG2' ' A' ' 617' ' ' VAL . 34.0 Cg_endo -88.81 177.01 3.18 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 123.939 3.093 . . . . 0.0 113.415 -179.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.42 ' O ' ' HA ' ' A' ' 686' ' ' LEU . 20.5 tt -74.64 -28.6 22.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.384 177.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -149.3 148.6 29.73 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.702 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 70.4 t -116.95 127.52 74.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.742 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . 0.414 ' CD2' ' HB2' ' A' ' 689' ' ' PHE . 72.6 mt -105.0 122.04 45.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.38 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . 0.426 ' O ' ' HA ' ' A' ' 690' ' ' ILE . 67.9 mt -112.23 129.08 56.38 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 179.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -124.6 143.18 50.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.013 0.435 . . . . 0.0 111.916 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -72.21 157.73 88.78 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.868 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 664' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -82.64 147.42 63.53 Favored 'Cis proline' 0 C--N 1.352 0.742 0 C-N-CA 124.094 -1.211 . . . . 0.0 113.887 -0.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -116.64 79.82 1.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.628 178.549 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 79.5 p -99.59 -31.81 11.41 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -70.11 -42.03 73.21 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 120.841 0.353 . . . . 0.0 111.643 -179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -127.32 156.85 20.59 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.624 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -92.92 127.94 38.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.546 0.212 . . . . 0.0 110.967 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 670' ' ' VAL . . . . . 0.471 ' O ' HG23 ' A' ' 674' ' ' VAL . 72.3 t -59.94 -44.65 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.251 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -61.42 -39.05 89.37 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.901 0.381 . . . . 0.0 110.372 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -60.84 -45.76 93.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.848 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 89.3 mt -65.04 -40.89 95.44 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.33 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 670' ' ' VAL . 65.0 t -60.93 -47.7 92.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 -179.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -62.38 -44.95 95.24 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.825 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . 0.428 ' OE1' HG21 ' A' ' 648' ' ' VAL . 53.3 tt0 -67.38 -39.34 85.62 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.653 -179.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.53 -37.72 88.37 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.912 -0.131 . . . . 0.0 111.196 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -61.07 -36.73 80.41 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.065 0.459 . . . . 0.0 110.511 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -63.25 -36.34 83.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.33 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -87.74 -47.81 8.35 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.826 -178.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 75.9 m -127.62 142.96 51.21 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.793 0.33 . . . . 0.0 110.951 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 54.1 p -72.7 152.59 91.45 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.707 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -62.45 -25.86 76.22 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 122.627 2.218 . . . . 0.0 113.373 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -76.47 -21.47 55.81 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -96.48 -35.27 11.19 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.064 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 686' ' ' LEU . . . . . 0.42 ' HA ' ' O ' ' A' ' 657' ' ' ILE . 0.7 OUTLIER -131.93 130.61 41.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.872 179.534 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -114.84 149.22 37.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.065 0.459 . . . . 0.0 111.304 -179.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 688' ' ' ILE . . . . . . . . . . . . . 78.7 mt -111.31 128.42 67.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.676 -179.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 689' ' ' PHE . . . . . 0.414 ' HB2' ' CD2' ' A' ' 660' ' ' LEU . 92.0 m-85 -122.95 145.57 48.36 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 690' ' ' ILE . . . . . 0.426 ' HA ' ' O ' ' A' ' 661' ' ' LEU . 94.7 mt -122.67 129.82 74.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.255 0.55 . . . . 0.0 111.899 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 4.1 mp -88.91 112.95 23.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.245 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 151.56 -166.27 30.69 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.635 -179.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 63.6 m -118.87 136.34 54.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.985 0.392 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 53.9 -131.77 1.99 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.827 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . 100.66 -21.57 43.36 Favored Glycine 0 C--N 1.332 0.354 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.865 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 59.7 t30 52.66 50.7 17.58 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 122.758 0.423 . . . . 0.0 112.099 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -102.96 140.97 36.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.175 0.512 . . . . 0.0 111.436 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -91.82 154.46 18.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.229 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 80.11 17.46 74.34 Favored Glycine 0 C--N 1.333 0.397 0 C-N-CA 120.72 -0.752 . . . . 0.0 113.002 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 48.3 t -105.02 118.41 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.775 0.321 . . . . 0.0 110.328 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -70.28 -41.49 73.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.037 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 18.0 tpt180 -154.5 145.21 22.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.744 0.307 . . . . 0.0 111.452 -178.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -105.08 141.94 35.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.144 178.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 4.1 mm -108.27 99.92 34.56 Favored Pre-proline 0 C--N 1.329 -0.293 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 705' ' ' PRO . . . . . 0.441 ' O ' HG21 ' A' ' 708' ' ' ILE . 48.2 Cg_exo -59.3 143.73 99.63 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.081 2.521 . . . . 0.0 113.28 -179.224 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 79.2 mt -102.6 145.33 30.33 Favored Pre-proline 0 C--O 1.233 0.214 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.436 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 707' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -72.33 159.16 96.43 Favored 'Cis proline' 0 C--N 1.35 0.61 0 C-N-CA 123.845 -1.315 . . . . 0.0 112.484 -0.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 708' ' ' ILE . . . . . 0.441 HG21 ' O ' ' A' ' 705' ' ' PRO . 45.3 pt -105.96 152.41 7.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.274 0.559 . . . . 0.0 111.597 -179.171 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -112.79 149.29 40.99 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -52.87 -49.25 18.22 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.547 2.165 . . . . 0.0 113.227 -179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 51.3 mp0 -66.93 -40.47 87.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.096 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 68.0 m -63.45 -46.46 86.16 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.22 -179.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 713' ' ' PHE . . . . . 0.406 ' CZ ' HG13 ' A' ' 629' ' ' ILE . 87.0 t80 -60.28 -48.43 81.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.762 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 65.0 tp -62.09 -45.32 94.03 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.057 -0.519 . . . . 0.0 112.373 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -64.83 -41.26 95.89 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -178.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.73 -46.38 85.62 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.497 0.189 . . . . 0.0 111.097 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 717' ' ' VAL . . . . . 0.408 ' O ' ' HG ' ' A' ' 721' ' ' LEU . 64.7 t -63.93 -45.15 97.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.919 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 93.7 m -62.08 -46.84 87.31 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.005 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -62.82 -40.65 98.05 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.326 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -62.04 -40.54 99.05 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.244 -0.979 . . . . 0.0 111.723 178.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 721' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 717' ' ' VAL . 94.5 mt -66.79 -38.2 86.07 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 76.8 p -67.66 -23.6 65.34 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 95.6 p -89.72 -4.75 57.56 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.585 0.231 . . . . 0.0 111.35 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 724' ' ' LEU . . . . . . . . . . . . . 1.5 tt -66.12 -41.55 90.38 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.243 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -147.17 155.53 42.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.864 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 70.2 p -70.44 -26.4 63.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.599 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 61.1 m -118.85 139.54 51.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.455 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -62.81 -40.53 97.68 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.627 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.361 -0.828 . . . . 0.0 110.613 179.81 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 63.0 mtt . . . . . 0 N--CA 1.489 1.513 0 CA-C-O 120.597 0.237 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.63 62.93 10.18 Favored Pre-proline 0 N--CA 1.469 0.499 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.302 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -70.46 -19.37 32.87 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.652 2.235 . . . . 0.0 113.564 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.544 ' O ' HG21 ' A' ' 635' ' ' THR . 1.1 pt? -92.25 53.49 2.14 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.396 0.617 . . . . 0.0 111.697 -179.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 -124.02 22.61 8.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.761 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.68 72.5 8.67 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.429 ' OG1' ' HA ' ' A' ' 631' ' ' SER . 81.6 p -130.32 157.16 43.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.398 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -108.62 153.39 23.47 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 14.5 m -126.48 133.5 68.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.442 0.639 . . . . 0.0 112.518 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mp -103.46 128.48 50.62 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.852 178.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 21.4 mmmt -100.99 109.06 20.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.775 0.321 . . . . 0.0 110.392 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 tt -102.16 113.37 26.57 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.375 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' TYR . . . . . 0.495 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 92.9 m-85 -98.64 130.65 45.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.775 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 16.6 m -131.63 166.6 28.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.095 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -133.56 115.66 14.98 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.506 -179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.03 -176.79 51.97 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.008 -0.615 . . . . 0.0 113.846 178.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 33.1 p-10 -109.95 28.02 9.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.324 -0.438 . . . . 0.0 110.934 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 68.2 p -69.13 155.06 94.31 Favored Pre-proline 0 C--O 1.235 0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.69 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -55.47 -36.53 94.37 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 123.266 2.644 . . . . 0.0 113.289 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -60.53 -42.93 97.49 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.849 0.357 . . . . 0.0 110.787 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 74.8 m -68.43 -39.52 81.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.277 0.56 . . . . 0.0 109.933 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 56.2 t -63.84 -47.36 91.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 115.158 -0.928 . . . . 0.0 112.123 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 41.6 ptt180 -69.78 -29.74 67.13 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -178.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.75 -42.75 99.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.819 0.343 . . . . 0.0 111.825 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.59 -42.94 91.12 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -179.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -70.15 -32.61 70.67 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -178.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 50.4 p -71.8 -40.05 69.45 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.332 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 tt -70.07 -41.28 74.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.952 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.33 -40.39 94.06 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.689 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -61.48 -44.28 97.37 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.798 0.333 . . . . 0.0 110.743 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 95.4 mt -67.77 -41.16 84.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.422 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 9.6 tt -61.84 -47.18 86.24 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.022 -179.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' B' ' 37' ' ' LYS . 22.4 pt-20 -71.81 -18.89 62.06 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -178.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -97.76 -61.83 1.33 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.489 ' O ' ' HD1' ' B' ' 36' ' ' PHE . 80.1 mm-40 -66.21 -44.46 83.81 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -177.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . 0.489 ' HD1' ' O ' ' B' ' 35' ' ' GLU . 0.6 OUTLIER -131.69 64.58 1.59 Allowed 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -178.369 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' B' ' 33' ' ' GLU . 64.7 tttm -74.34 126.09 29.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.99 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.5 18.92 72.5 Favored Glycine 0 CA--C 1.522 0.494 0 C-N-CA 121.013 -0.613 . . . . 0.0 113.79 179.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.435 HG11 ' CD2' ' B' ' 36' ' ' PHE . 47.8 t -109.12 -42.77 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 117.149 0.474 . . . . 0.0 111.807 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -145.09 161.37 39.61 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.258 0.551 . . . . 0.0 111.981 -179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.25 157.88 21.19 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.581 -178.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' A' ' 641' ' ' ILE . 65.1 tp -114.48 132.15 56.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.664 -179.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.421 ' HG2' ' HB3' ' A' ' 642' ' ' TRP . 99.4 mttt -116.53 135.09 54.11 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 58.9 t -121.44 125.87 74.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 120.942 0.401 . . . . 0.0 111.878 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.9 mp -127.13 135.53 63.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.535 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -94.35 112.53 24.32 Favored 'General case' 0 N--CA 1.461 0.118 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 35.6 m -65.02 -30.29 49.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -177.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 90.2 mt -67.18 -41.56 85.7 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -71.46 -38.71 71.25 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -128.47 78.51 75.65 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 120.659 0.266 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -56.86 -31.89 90.38 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 123.22 2.614 . . . . 0.0 112.909 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 18.7 pm0 -63.53 -30.54 71.64 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.785 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 86.5 mt -69.04 -41.26 77.89 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 110.082 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.87 95.76 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.377 178.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.44 -37.13 85.98 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.904 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -66.88 -40.48 87.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.037 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -96.15 6.87 47.86 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -179.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm 56.76 47.5 18.01 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 48.7 mm -107.36 118.08 54.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -121.63 14.37 10.98 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -147.81 153.4 39.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.693 -0.23 . . . . 0.0 110.885 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 66.3 p -143.16 146.62 37.44 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.915 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . 0.495 ' HA ' ' O ' ' B' ' 13' ' ' TYR . 92.7 Cg_endo -80.11 143.6 66.35 Favored 'Cis proline' 0 C--N 1.348 0.529 0 C-N-CA 123.387 -1.505 . . . . 0.0 112.487 -1.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 99.0 m -130.21 134.5 47.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.245 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 75.0 mt -101.68 121.56 42.25 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.821 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -112.26 133.7 54.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.252 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -104.1 106.77 17.39 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.832 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 86.3 t -74.98 -49.29 29.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.232 0.539 . . . . 0.0 109.838 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 82.8 mt -137.96 146.31 51.76 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.014 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -77.63 153.98 94.62 Favored 'Cis proline' 0 C--N 1.347 0.481 0 C-N-CA 123.818 -1.326 . . . . 0.0 112.159 -1.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -74.88 164.49 33.38 Favored 'Trans proline' 0 CA--C 1.534 0.5 0 C-N-CA 122.508 2.139 . . . . 0.0 112.268 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -71.09 157.59 95.57 Favored 'Cis proline' 0 C--N 1.353 0.769 0 C-N-CA 124.032 -1.237 . . . . 0.0 113.462 0.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 88.9 t -70.38 126.21 30.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.673 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -126.45 154.02 44.25 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.546 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -123.49 136.03 54.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.685 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 81.2 mt -117.05 121.26 67.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.279 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 82.1 mt -118.57 125.95 74.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.805 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 179.76 -169.34 40.2 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.318 -0.944 . . . . 0.0 112.571 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -85.97 102.89 14.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.685 0.279 . . . . 0.0 110.819 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 96.2 mt -91.31 -1.23 57.7 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.972 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 87.0 p -70.73 -21.96 62.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.206 0.527 . . . . 0.0 110.029 178.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 63.6 t-20 -94.43 115.83 28.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.709 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -59.27 -36.57 75.77 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.542 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.87 -45.76 89.41 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.634 0.254 . . . . 0.0 110.655 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -67.5 -36.68 81.55 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.608 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 78.1 t -60.03 -43.1 91.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.465 ' O ' ' HG2' ' B' ' 91' ' ' ARG . 63.3 tp -61.24 -41.62 97.2 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.819 178.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 89.3 mt -60.08 -48.27 88.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.158 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.35 -42.46 96.24 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.975 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 81.9 mt -67.6 -35.57 79.23 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' B' ' 87' ' ' LEU . 25.7 mmt85 -60.73 -39.63 89.36 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.9 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 88.9 mt -64.05 -41.29 97.44 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 120.969 0.414 . . . . 0.0 110.169 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 89.1 mt -66.96 -39.74 87.33 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.853 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.54 ' O ' HG21 ' B' ' 97' ' ' ILE . . . -62.47 -39.56 93.82 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.405 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.1 -39.27 94.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.733 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.74 -42.13 97.93 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.788 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.54 HG21 ' O ' ' B' ' 94' ' ' ALA . 10.6 tp -76.66 -34.81 24.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-O 120.653 0.264 . . . . 0.0 110.984 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -64.04 -38.33 95.87 Favored Glycine 0 C--N 1.335 0.504 0 C-N-CA 121.194 -0.527 . . . . 0.0 112.744 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -86.09 75.4 9.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 0.0 110.633 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -111.53 122.88 49.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.309 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 59.6 mtmt -73.9 146.49 43.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.09 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 31.4 t0 59.07 48.43 10.67 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.007 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -87.1 104.27 16.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.448 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -91.33 101.89 14.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.56 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -150.13 173.92 13.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.47 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp . . . . . 0 C--O 1.249 1.069 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.499 179.95 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 . . . . . 0 N--CA 1.485 1.276 0 CA-C-O 120.648 0.261 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . -91.67 -168.26 40.95 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 120.827 -0.701 . . . . 0.0 113.303 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -80.5 150.84 29.5 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.965 0.412 . . . . 0.0 111.711 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . 0.524 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 94.5 mt -122.01 128.39 75.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.878 178.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 82.1 t -111.24 126.47 68.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.348 0.594 . . . . 0.0 111.472 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.95 117.74 34.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.691 179.305 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 60.0 t -111.66 111.86 38.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 83.7 p -160.08 163.3 33.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.023 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -95.84 -6.8 38.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.823 0.344 . . . . 0.0 110.585 179.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -97.94 101.13 12.53 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.958 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.21 -38.89 92.68 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.582 -0.736 . . . . 0.0 112.58 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -60.3 -43.45 96.28 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 89.9 m -65.53 -43.33 90.32 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.11 0.481 . . . . 0.0 110.388 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 74.4 m -63.51 -38.93 93.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.811 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 91.1 m -60.32 -43.42 96.41 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.962 0.41 . . . . 0.0 110.197 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 62.9 tp -61.99 -49.39 76.25 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.467 179.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 629' ' ' ILE . . . . . 0.404 HG23 ' CZ ' ' A' ' 713' ' ' PHE . 72.2 mt -64.73 -37.88 81.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.734 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 89.9 m -59.05 -42.71 90.96 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 66.9 m -65.72 -39.61 91.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.115 0.484 . . . . 0.0 109.897 177.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 72.7 mt -60.96 -48.0 90.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.883 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 633' ' ' LEU . . . . . . . . . . . . . 85.2 mt -87.0 -36.94 17.95 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 -178.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 634' ' ' THR . . . . . 0.713 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 94.4 m -63.48 -42.66 98.56 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 635' ' ' THR . . . . . . . . . . . . . 14.6 m -61.28 -36.14 79.23 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.941 0.401 . . . . 0.0 110.75 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -69.81 -8.28 46.97 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.934 -0.575 . . . . 0.0 112.373 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 107.7 7.79 31.21 Favored Glycine 0 C--N 1.333 0.387 0 C-N-CA 120.437 -0.887 . . . . 0.0 113.224 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 638' ' ' TYR . . . . . 0.713 ' O ' ' HA ' ' A' ' 634' ' ' THR . 95.8 m-85 -98.52 148.38 23.81 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -101.71 112.28 24.81 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 640' ' ' VAL . . . . . 0.524 ' HA ' ' O ' ' A' ' 616' ' ' ILE . 59.3 t -108.03 129.44 62.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -178.402 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 641' ' ' ILE . . . . . 0.42 HG12 ' HB3' ' B' ' 42' ' ' LEU . 78.6 mt -120.63 125.95 74.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.099 177.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 642' ' ' TRP . . . . . . . . . . . . . 73.1 t90 -94.59 117.06 29.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.963 0.411 . . . . 0.0 110.256 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 91.9 mt -112.66 141.51 46.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.57 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 12.2 m -75.51 154.15 6.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -77.1 159.78 29.54 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -177.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 103.77 -18.19 47.63 Favored Glycine 0 CA--C 1.524 0.624 0 CA-C-N 115.408 -0.814 . . . . 0.0 114.613 179.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -115.53 117.25 29.81 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 118.311 1.055 . . . . 0.0 112.314 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 62.4 t -83.85 -37.51 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.845 178.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 49.7 mp0 -58.9 -35.63 73.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.635 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . 0.433 HH22 ' HB3' ' B' ' 21' ' ' SER . 40.8 mmt180 -62.59 -38.3 89.57 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.42 -40.45 85.52 Favored 'General case' 0 C--O 1.227 -0.085 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.064 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.25 -39.4 78.5 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.833 179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -59.17 -39.84 83.75 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.145 0.498 . . . . 0.0 111.248 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 91.2 mt -109.38 29.85 7.16 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.453 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 655' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -31.03 102.76 0.2 Allowed Pre-proline 0 N--CA 1.476 0.857 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 -178.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -87.44 173.95 5.26 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.827 3.018 . . . . 0.0 112.786 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.487 ' O ' ' HA ' ' A' ' 686' ' ' LEU . 45.0 pt -82.28 -20.41 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.406 0.622 . . . . 0.0 109.418 177.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -152.31 145.07 24.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.293 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 65.9 t -116.58 123.51 71.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.211 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 6.2 mp -106.87 116.63 32.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.17 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 81.3 mt -105.01 124.08 48.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.844 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -121.28 140.44 52.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.071 0.463 . . . . 0.0 111.849 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . 0.479 ' HB2' ' HA ' ' A' ' 664' ' ' PRO . 21.0 pt-20 -73.43 161.38 79.32 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.896 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 664' ' ' PRO . . . . . 0.479 ' HA ' ' HB2' ' A' ' 663' ' ' GLU . 97.6 Cg_endo -80.48 159.21 85.78 Favored 'Cis proline' 0 C--N 1.353 0.814 0 C-N-CA 124.494 -1.044 . . . . 0.0 113.827 -0.364 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -113.39 96.76 6.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.858 178.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 50.7 m -98.6 -29.02 13.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 111.138 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -112.23 108.75 18.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.637 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 90.85 158.43 34.67 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.902 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -96.08 121.79 38.22 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.447 -0.205 . . . . 0.0 110.447 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 7.1 p -57.21 -40.79 75.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -179.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -65.66 -38.99 90.85 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.981 0.419 . . . . 0.0 110.949 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . 0.51 ' HG3' ' OE1' ' A' ' 676' ' ' GLN . 53.6 tp10 -62.73 -39.87 95.41 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.521 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 84.1 mt -60.73 -40.81 93.76 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.829 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.19 -44.14 97.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.018 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 675' ' ' ASP . . . . . 0.407 ' O ' ' HG2' ' A' ' 679' ' ' GLN . 36.1 t70 -60.79 -46.68 89.56 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.791 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . 0.51 ' OE1' ' HG3' ' A' ' 672' ' ' GLU . 4.5 mp0 -65.31 -45.59 83.74 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.94 -39.61 95.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.587 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 38.0 ttp-105 -62.68 -38.6 91.01 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.951 0.405 . . . . 0.0 110.938 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 675' ' ' ASP . 99.4 mm-40 -70.49 -25.87 63.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.854 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 680' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 676' ' ' GLN . 5.1 mmp_? -88.23 -43.83 11.3 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 111.525 0.195 . . . . 0.0 111.525 -179.395 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 71.6 m -127.67 142.51 51.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.745 0.307 . . . . 0.0 111.15 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 78.7 p -72.37 153.92 91.97 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.663 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.87 -27.1 84.26 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.469 2.113 . . . . 0.0 113.313 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -74.39 -23.06 58.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.797 0.332 . . . . 0.0 110.81 179.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 20.4 tm0? -97.64 -36.89 10.12 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.028 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 686' ' ' LEU . . . . . 0.487 ' HA ' ' O ' ' A' ' 657' ' ' ILE . 0.4 OUTLIER -137.52 131.87 32.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.998 0.427 . . . . 0.0 110.57 179.793 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -112.3 148.81 33.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.612 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 688' ' ' ILE . . . . . 0.401 HD11 HG22 ' A' ' 688' ' ' ILE . 48.0 mm -108.39 126.0 65.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.582 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -124.9 144.76 50.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.194 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 690' ' ' ILE . . . . . 0.4 HD12 HG21 ' A' ' 690' ' ' ILE . 91.4 mt -115.95 127.7 73.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.073 0.463 . . . . 0.0 110.476 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 1.2 tt -104.53 121.42 43.44 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.272 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 108.96 -61.0 0.31 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.75 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 55.0 m -72.82 150.8 42.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.757 0.313 . . . . 0.0 110.739 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -136.43 156.9 47.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.742 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . 130.44 -167.8 21.86 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.092 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -92.5 108.3 19.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.696 0.284 . . . . 0.0 110.603 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -118.97 140.2 50.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.383 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -82.07 135.13 35.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.751 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 82.4 3.65 90.46 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.863 -0.684 . . . . 0.0 113.181 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 62.2 t -110.16 120.68 61.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.902 0.382 . . . . 0.0 110.668 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -69.43 -43.22 73.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.497 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -159.65 151.87 20.88 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.852 0.358 . . . . 0.0 111.667 -178.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -114.56 150.02 35.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.772 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 21.8 mm -102.78 108.22 57.38 Favored Pre-proline 0 C--O 1.235 0.297 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.724 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -63.24 150.89 87.34 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 123.481 2.787 . . . . 0.0 113.18 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . 0.52 ' HA ' ' C ' ' A' ' 707' ' ' PRO . 97.6 mt -114.34 155.18 46.1 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.221 179.142 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 707' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 706' ' ' LEU . 31.9 Cg_exo -61.48 147.02 49.56 Favored 'Cis proline' 0 C--N 1.353 0.779 0 C-N-CA 124.47 -1.054 . . . . 0.0 113.24 -0.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 708' ' ' ILE . . . . . 0.405 HD13 HG22 ' A' ' 708' ' ' ILE . 13.8 tt -80.23 128.35 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-O 121.327 0.584 . . . . 0.0 111.525 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -116.22 135.99 22.93 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 178.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -51.94 -48.81 19.68 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.744 2.296 . . . . 0.0 113.778 -178.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -64.03 -43.18 96.38 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.05 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 69.1 m -64.54 -46.23 83.72 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.969 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 713' ' ' PHE . . . . . 0.404 ' CZ ' HG23 ' A' ' 629' ' ' ILE . 83.7 t80 -60.05 -49.28 78.27 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.346 179.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 62.5 tp -60.78 -44.52 96.68 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.167 -0.469 . . . . 0.0 112.052 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -64.44 -42.72 95.83 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.549 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -67.35 -41.21 85.53 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 717' ' ' VAL . . . . . . . . . . . . . 9.8 p -72.63 -39.48 61.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.902 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 718' ' ' THR . . . . . 0.429 ' O ' HG23 ' A' ' 722' ' ' THR . 92.7 m -61.67 -47.79 83.74 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -62.44 -40.27 96.03 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.55 0.214 . . . . 0.0 111.078 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -63.8 -41.86 98.71 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.463 -0.875 . . . . 0.0 111.92 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 94.4 mt -67.97 -37.86 82.05 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 722' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 718' ' ' THR . 67.6 p -68.54 -15.51 63.56 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 111.768 0.285 . . . . 0.0 111.768 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 64.3 m -84.97 -11.78 54.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.646 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 724' ' ' LEU . . . . . . . . . . . . . 1.4 tt -69.48 -45.22 69.5 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.48 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -172.39 -72.03 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.903 0.382 . . . . 0.0 111.373 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 68.1 p -81.89 161.25 23.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.646 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 98.3 p -148.64 161.51 41.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.557 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -70.85 143.71 50.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.091 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.118 -0.944 . . . . 0.0 110.415 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 78.4 mtm . . . . . 0 N--CA 1.484 1.264 0 CA-C-O 120.675 0.274 . . . . 0.0 110.673 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.12 110.74 63.55 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -59.22 140.88 96.82 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.935 2.423 . . . . 0.0 112.541 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.401 ' C ' ' HD2' ' B' ' 5' ' ' ARG . 4.2 mp -88.55 64.73 7.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.753 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.401 ' HD2' ' C ' ' B' ' 4' ' ' LEU . 2.7 mpt_? -125.78 36.82 4.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.955 -179.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -106.16 93.89 4.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.729 0.3 . . . . 0.0 111.777 -179.266 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 60.7 p -132.6 160.02 37.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.352 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.47 145.91 25.26 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 79.4 t -112.7 121.74 65.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.3 0.571 . . . . 0.0 112.241 -178.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 48.8 tp -109.43 125.65 52.64 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.386 178.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -106.94 148.16 28.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.075 0.464 . . . . 0.0 111.856 -178.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.69 118.22 19.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.221 179.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' TYR . . . . . 0.416 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 74.6 m-85 -98.17 130.27 44.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.905 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 16.9 m -132.78 164.98 33.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.278 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -131.26 118.39 20.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.729 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . 0.416 ' N ' HD12 ' B' ' 48' ' ' LEU . . . 81.22 -165.13 46.56 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.036 -0.602 . . . . 0.0 113.348 178.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -120.98 36.8 4.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.959 0.409 . . . . 0.0 110.607 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 58.4 p -72.1 150.78 92.47 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -55.38 -38.96 93.44 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 123.041 2.494 . . . . 0.0 113.188 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -61.7 -41.49 97.68 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.929 0.395 . . . . 0.0 110.437 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.433 ' HB3' HH22 ' A' ' 650' ' ' ARG . 68.2 m -69.96 -39.78 75.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.38 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 63.4 t -65.44 -46.09 91.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.514 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -68.2 -27.87 66.76 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.946 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.61 94.54 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.672 0.272 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 82.4 mt -65.17 -39.52 93.04 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 120.992 0.425 . . . . 0.0 110.822 178.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -64.88 -40.93 95.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.781 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 91.5 m -65.38 -44.94 85.97 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.562 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.04 -48.49 73.67 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.68 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -40.96 96.42 Favored 'General case' 0 C--O 1.222 -0.361 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -60.79 -46.85 88.88 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -178.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.7 mt -71.13 -42.0 75.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.22 0.533 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.3 tp -67.89 -41.22 83.09 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.265 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.544 ' O ' ' HB3' ' B' ' 37' ' ' LYS . 13.1 tm-20 -62.09 -37.72 86.15 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -177.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -96.62 -61.41 1.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -178.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -70.23 -38.74 75.27 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 -176.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -117.93 39.39 3.39 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -176.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.544 ' HB3' ' O ' ' B' ' 33' ' ' GLU . 9.8 ptmm? -79.14 144.76 34.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.16 0.505 . . . . 0.0 112.249 -179.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 634' ' ' THR . . . 82.93 0.47 90.28 Favored Glycine 0 C--N 1.333 0.401 0 N-CA-C 114.822 0.689 . . . . 0.0 114.822 178.102 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -125.53 -29.06 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 118.017 0.908 . . . . 0.0 113.219 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -127.43 139.63 52.7 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.26 151.04 27.85 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.42 ' HB3' HG12 ' A' ' 641' ' ' ILE . 62.5 tp -114.67 136.48 53.0 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -177.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -122.26 136.32 54.88 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.356 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 58.7 t -122.17 125.66 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 120.885 0.374 . . . . 0.0 111.796 -179.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.3 mp -125.1 133.89 68.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.091 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -94.04 110.44 22.13 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 34.0 m -65.25 -27.55 42.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -177.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.416 HD12 ' N ' ' B' ' 16' ' ' GLY . 88.4 mt -66.46 -40.77 89.57 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -179.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -71.03 -38.82 72.59 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.751 ' OD1' ' HG ' ' B' ' 53' ' ' LEU . 13.5 t-20 -135.34 86.36 30.37 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.06 -27.67 65.67 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 123.054 2.502 . . . . 0.0 114.547 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.469 ' HG2' ' OD1' ' B' ' 50' ' ' ASN . 16.3 pm0 -68.84 -23.69 64.27 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 120.617 -0.433 . . . . 0.0 112.036 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . 0.751 ' HG ' ' OD1' ' B' ' 50' ' ' ASN . 86.4 mt -64.69 -41.49 95.99 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.691 -0.403 . . . . 0.0 109.988 178.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.45 -40.56 93.38 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.521 178.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.66 -36.57 84.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.675 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -64.84 -40.0 94.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.129 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -98.06 12.2 35.12 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 111.825 0.305 . . . . 0.0 111.825 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 68.5 mttm 57.46 45.74 19.2 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 44.7 mm -105.32 116.25 48.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 89.8 mt -113.61 6.47 16.98 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -148.79 160.44 43.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.568 0.223 . . . . 0.0 111.397 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 52.1 p -143.67 147.57 39.61 Favored Pre-proline 0 N--CA 1.464 0.237 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.693 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . 0.416 ' HA ' ' O ' ' B' ' 13' ' ' TYR . 96.6 Cg_endo -78.34 144.56 75.51 Favored 'Cis proline' 0 C--N 1.35 0.643 0 C-N-CA 123.44 -1.483 . . . . 0.0 112.592 -1.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 93.9 m -128.57 132.42 48.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.929 0.395 . . . . 0.0 110.751 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 24.5 tp -99.48 120.56 39.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.569 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.81 137.21 52.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.921 0.391 . . . . 0.0 111.999 -178.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -105.29 114.23 28.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.244 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 92.2 t -71.5 -44.5 70.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-O 121.017 0.437 . . . . 0.0 111.247 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.401 ' HB2' ' HA ' ' B' ' 70' ' ' PRO . 0.6 OUTLIER -153.15 158.25 32.85 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.662 -179.236 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' B' ' 71' ' ' PRO . 22.0 Cg_exo -68.31 133.19 22.19 Favored 'Cis proline' 0 C--N 1.354 0.849 0 C-N-CA 124.253 -1.145 . . . . 0.0 113.079 -0.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . 0.449 ' HA ' ' C ' ' B' ' 72' ' ' PRO . 20.4 Cg_exo -68.1 163.2 36.87 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.904 2.403 . . . . 0.0 111.721 178.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' B' ' 71' ' ' PRO . 31.7 Cg_exo -61.67 150.26 57.51 Favored 'Cis proline' 0 C--N 1.356 0.929 0 C-N-CA 124.98 -0.842 . . . . 0.0 113.674 0.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 27.2 m -69.49 144.9 13.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.603 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -132.19 152.28 51.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.403 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 35.2 ptt-85 -129.75 144.02 51.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.024 0.44 . . . . 0.0 111.16 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 80.8 mt -122.32 124.81 71.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.159 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 82.3 mt -116.37 125.21 73.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 169.8 -157.76 29.53 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.327 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -84.01 103.77 13.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.753 0.311 . . . . 0.0 110.472 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -83.33 -4.1 58.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.345 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 66.1 m -89.3 -2.25 58.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.977 0.418 . . . . 0.0 110.91 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.403 ' O ' HG21 ' B' ' 86' ' ' VAL . 28.6 t-20 -99.87 113.59 26.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.905 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.16 -36.92 81.09 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -59.89 -48.92 79.72 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.453 -0.499 . . . . 0.0 111.118 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -63.45 -43.27 97.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.403 HG21 ' O ' ' B' ' 82' ' ' ASN . 71.2 t -61.69 -47.59 92.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.958 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.456 ' O ' ' HG2' ' B' ' 91' ' ' ARG . 62.3 tp -63.12 -46.28 88.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.821 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 77.2 mt -61.14 -47.26 94.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.408 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.25 95.82 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.983 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 6.2 mp -67.42 -35.17 78.72 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' B' ' 87' ' ' LEU . 27.5 mmt85 -62.44 -38.73 90.9 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.623 0.249 . . . . 0.0 110.661 179.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.11 -40.61 98.14 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.958 0.409 . . . . 0.0 110.229 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.609 ' O ' ' HG2' ' B' ' 96' ' ' GLU . 7.9 mp -68.45 -38.81 81.45 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.546 179.126 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.615 ' O ' HG22 ' B' ' 97' ' ' ILE . . . -62.69 -39.93 95.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.599 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -63.06 -42.27 99.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.071 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . 0.609 ' HG2' ' O ' ' B' ' 93' ' ' LEU . 11.1 pt-20 -69.65 -22.04 63.49 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.615 HG22 ' O ' ' B' ' 94' ' ' ALA . 12.3 tt -83.94 -14.47 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 O-C-N 122.097 -0.377 . . . . 0.0 110.944 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -60.79 -37.52 93.75 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 114.523 0.569 . . . . 0.0 114.523 -178.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -88.75 5.48 43.22 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 117.587 0.694 . . . . 0.0 112.314 -178.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -111.31 125.36 53.75 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 121.194 -0.202 . . . . 0.0 110.776 179.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 64.3 mttp 54.85 41.53 31.83 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.762 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -89.13 103.75 16.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.58 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -90.72 102.0 14.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.534 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -90.78 103.81 16.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.625 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -156.46 160.19 39.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.318 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.776 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.955 0.407 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . -161.42 171.86 37.51 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.138 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . 0.405 ' O ' HG12 ' A' ' 657' ' ' ILE . 89.8 mtm180 -92.45 130.0 38.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.94 0.4 . . . . 0.0 111.49 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . 0.503 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 93.8 mt -128.37 129.43 69.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.157 179.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 98.9 t -109.67 126.13 66.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.178 0.513 . . . . 0.0 110.354 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 60.3 tp -108.39 123.5 48.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.735 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 58.8 t -112.1 109.63 29.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.875 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 45.0 t -158.35 146.66 18.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.125 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -90.82 -10.25 43.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.499 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -90.86 107.99 19.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.308 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -64.57 -33.31 75.62 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -63.07 -47.57 82.36 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.729 0.3 . . . . 0.0 111.729 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 94.5 m -70.29 -42.08 72.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 66.1 m -62.02 -43.21 99.33 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.008 -178.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 87.4 m -64.82 -43.1 94.22 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.837 0.351 . . . . 0.0 110.325 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 64.4 tp -62.48 -48.1 81.07 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 629' ' ' ILE . . . . . . . . . . . . . 39.4 mm -63.53 -42.69 97.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.2 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 52.5 t -59.74 -48.59 81.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.638 -178.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 87.6 p -62.91 -36.43 83.33 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.11 -47.1 94.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-O 120.764 0.316 . . . . 0.0 111.745 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 633' ' ' LEU . . . . . 0.4 HD13 ' CD1' ' A' ' 616' ' ' ILE . 3.5 mm? -84.78 -38.8 19.17 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 -178.187 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 634' ' ' THR . . . . . 0.619 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 93.9 m -61.75 -46.57 89.04 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 635' ' ' THR . . . . . 0.555 ' CG2' ' HA ' ' B' ' 4' ' ' LEU . 0.2 OUTLIER -73.63 -15.42 61.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.844 0.354 . . . . 0.0 111.732 -178.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -83.74 3.97 30.91 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.081 0.401 . . . . 0.0 112.081 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 103.08 0.9 48.21 Favored Glycine 0 C--N 1.333 0.394 0 C-N-CA 120.792 -0.718 . . . . 0.0 113.514 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 638' ' ' TYR . . . . . 0.619 ' O ' ' HA ' ' A' ' 634' ' ' THR . 86.3 m-85 -100.58 150.28 22.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.713 0.292 . . . . 0.0 110.466 179.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -101.35 110.81 22.87 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 640' ' ' VAL . . . . . 0.503 ' HA ' ' O ' ' A' ' 616' ' ' ILE . 59.6 t -101.3 129.27 52.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -178.365 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 641' ' ' ILE . . . . . . . . . . . . . 82.0 mt -116.15 123.23 71.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 115.342 -0.845 . . . . 0.0 108.809 177.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 642' ' ' TRP . . . . . . . . . . . . . 12.3 t90 -94.25 115.62 27.9 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.49 148.53 42.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.038 -178.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 16.0 m -79.92 154.04 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.166 0.508 . . . . 0.0 111.091 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -68.63 140.79 55.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.73 -178.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 102.46 -3.6 50.44 Favored Glycine 0 C--N 1.335 0.525 0 N-CA-C 114.996 0.759 . . . . 0.0 114.996 178.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 647' ' ' GLU . . . . . 0.481 ' HB3' ' HD3' ' A' ' 650' ' ' ARG . 77.5 mm-40 -113.77 87.4 2.61 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 118.12 0.96 . . . . 0.0 112.873 -179.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 79.4 t -71.77 -41.07 70.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.156 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 49.2 mp0 -59.26 -39.17 82.03 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.697 0.284 . . . . 0.0 110.419 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . 0.481 ' HD3' ' HB3' ' A' ' 647' ' ' GLU . 2.2 mpt_? -63.88 -37.85 88.93 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 647' ' ' GLU . 95.3 mt -65.76 -40.35 91.97 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.22 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.99 -39.98 94.28 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.967 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -60.08 -38.85 84.11 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.258 0.552 . . . . 0.0 111.295 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 80.2 mt -108.24 29.71 7.08 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.58 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 655' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -36.79 103.65 0.26 Allowed Pre-proline 0 N--CA 1.473 0.718 0 O-C-N 124.15 0.906 . . . . 0.0 113.322 -178.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 656' ' ' PRO . . . . . 0.509 ' O ' HD13 ' A' ' 686' ' ' LEU . 41.6 Cg_endo -87.23 -178.03 2.33 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 123.583 2.855 . . . . 0.0 112.569 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.425 ' O ' HD21 ' A' ' 724' ' ' LEU . 50.3 pt -81.72 -26.95 9.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 177.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -148.97 147.48 28.64 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.407 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 79.9 t -117.93 127.56 75.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.677 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 85.3 mt -104.02 121.2 42.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.257 179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 84.3 mt -111.76 127.26 55.74 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -135.9 150.83 49.48 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.001 0.429 . . . . 0.0 111.836 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . 0.46 ' OE1' ' HA ' ' A' ' 664' ' ' PRO . 71.0 mm-40 -69.2 158.54 86.36 Favored Pre-proline 0 N--CA 1.466 0.33 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.176 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 664' ' ' PRO . . . . . 0.46 ' HA ' ' OE1' ' A' ' 663' ' ' GLU . 44.7 Cg_endo -89.98 158.7 33.59 Favored 'Cis proline' 0 C--N 1.353 0.8 0 C-N-CA 124.381 -1.091 . . . . 0.0 114.063 -0.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -116.13 86.26 2.45 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.122 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 93.7 p -99.96 -16.59 17.9 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -98.13 1.9 48.0 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 179.83 172.68 44.12 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.143 -1.027 . . . . 0.0 112.846 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 669' ' ' ASP . . . . . 0.717 ' O ' ' HG2' ' A' ' 672' ' ' GLU . 51.2 t0 -95.64 119.13 33.6 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 10.6 p -60.54 -30.54 46.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.458 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -64.38 -39.91 94.79 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.766 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . 0.717 ' HG2' ' O ' ' A' ' 669' ' ' ASP . 15.4 pt-20 -71.44 -29.33 64.74 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.237 -179.337 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 87.6 mt -63.97 -42.36 97.26 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.899 0.381 . . . . 0.0 110.828 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 77.1 t -62.22 -47.16 94.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.631 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 675' ' ' ASP . . . . . 0.489 ' O ' ' HG2' ' A' ' 678' ' ' ARG . 37.8 t70 -62.26 -43.72 98.18 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.981 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -66.53 -41.53 88.58 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 86.5 mt -65.64 -39.76 91.76 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -178.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 678' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 675' ' ' ASP . 9.2 ptm180 -66.61 -18.42 65.36 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -90.6 -5.99 55.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.62 0.248 . . . . 0.0 111.229 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -106.94 -38.25 6.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.352 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 72.3 m -127.82 149.05 50.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.812 0.339 . . . . 0.0 111.323 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 72.6 p -76.28 159.47 79.97 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.266 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -54.57 -40.24 84.77 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.691 2.26 . . . . 0.0 113.611 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 23.2 pm0 -74.48 -30.36 61.81 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.718 0.294 . . . . 0.0 111.023 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -72.56 -38.41 67.96 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.308 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 686' ' ' LEU . . . . . 0.509 HD13 ' O ' ' A' ' 656' ' ' PRO . 6.7 tt -151.5 132.63 14.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.443 -179.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -113.61 145.81 40.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.433 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 688' ' ' ILE . . . . . . . . . . . . . 80.9 mt -109.04 125.78 66.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.799 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -119.09 141.23 48.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.789 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 82.6 mt -119.4 128.17 75.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.022 0.439 . . . . 0.0 111.277 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 691' ' ' LEU . . . . . . . . . . . . . 6.1 mp -99.25 131.08 45.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.87 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 692' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 705' ' ' PRO . . . 118.42 -75.09 0.29 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.87 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 86.1 p -138.17 163.05 32.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.618 0.247 . . . . 0.0 110.949 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -76.79 123.13 25.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.651 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 695' ' ' GLY . . . . . 0.411 ' O ' ' HD1' ' A' ' 697' ' ' TYR . . . -72.87 -21.94 79.43 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.991 -0.624 . . . . 0.0 113.133 179.699 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 55.0 t30 58.55 39.52 24.73 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.217 0.532 . . . . 0.0 111.282 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 697' ' ' TYR . . . . . 0.411 ' HD1' ' O ' ' A' ' 695' ' ' GLY . 7.3 m-85 -125.4 155.55 40.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.872 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -70.58 148.65 47.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.346 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 96.01 -9.07 67.95 Favored Glycine 0 CA--C 1.517 0.186 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.772 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 59.0 t -93.65 110.17 22.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -69.16 -42.88 75.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.401 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -158.9 151.42 21.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.739 0.304 . . . . 0.0 111.104 -178.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -117.94 145.86 44.39 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 178.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 4.5 mp -119.31 97.2 50.3 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-O 120.522 0.201 . . . . 0.0 110.961 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 705' ' ' PRO . . . . . 0.406 ' HA ' ' O ' ' A' ' 692' ' ' GLY . 32.2 Cg_exo -61.51 144.22 97.74 Favored 'Trans proline' 0 N--CA 1.478 0.612 0 C-N-CA 123.482 2.788 . . . . 0.0 113.678 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 80.8 mt -97.17 152.28 38.19 Favored Pre-proline 0 N--CA 1.466 0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.509 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 707' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -73.97 151.09 96.57 Favored 'Cis proline' 0 C--N 1.353 0.788 0 C-N-CA 123.979 -1.259 . . . . 0.0 112.721 -0.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 708' ' ' ILE . . . . . . . . . . . . . 39.2 pt -109.06 157.88 9.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.21 0.529 . . . . 0.0 111.93 -179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -111.68 146.05 33.92 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 177.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -52.55 -50.95 12.28 Favored 'Trans proline' 0 N--CA 1.476 0.463 0 C-N-CA 122.42 2.08 . . . . 0.0 113.75 -178.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 711' ' ' GLU . . . . . 0.429 ' HG2' ' NE2' ' A' ' 715' ' ' GLN . 88.3 tt0 -66.28 -40.9 90.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.96 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 69.0 m -63.8 -46.59 84.51 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.574 -179.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 713' ' ' PHE . . . . . 0.451 ' O ' HG22 ' A' ' 717' ' ' VAL . 87.6 t80 -60.29 -49.33 78.02 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.195 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 63.3 tp -60.98 -45.15 95.95 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -178.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 715' ' ' GLN . . . . . 0.429 ' NE2' ' HG2' ' A' ' 711' ' ' GLU . 42.3 mt-30 -64.28 -41.8 96.72 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.32 -179.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -65.7 -42.05 91.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.661 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 717' ' ' VAL . . . . . 0.482 ' O ' HD13 ' A' ' 721' ' ' LEU . 53.6 t -65.01 -44.06 96.02 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.578 178.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 718' ' ' THR . . . . . 0.411 ' O ' HG21 ' A' ' 722' ' ' THR . 90.6 m -60.08 -44.32 94.84 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.835 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 17.7 tmm? -60.23 -45.83 91.88 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.68 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -63.76 -38.82 96.74 Favored Glycine 0 CA--C 1.523 0.556 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.629 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 721' ' ' LEU . . . . . 0.482 HD13 ' O ' ' A' ' 717' ' ' VAL . 7.3 mp -75.47 -0.3 19.67 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -178.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 722' ' ' THR . . . . . 0.411 HG21 ' O ' ' A' ' 718' ' ' THR . 62.7 p -64.89 -24.44 67.53 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.226 0.466 . . . . 0.0 111.795 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 62.3 m -91.99 2.77 56.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 0.0 110.932 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 724' ' ' LEU . . . . . 0.425 HD21 ' O ' ' A' ' 657' ' ' ILE . 0.3 OUTLIER -99.37 171.37 8.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.248 -179.504 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -103.51 150.13 24.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.698 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 67.7 p -116.3 161.06 19.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.804 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 58.1 m -87.88 -7.69 56.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.385 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -149.7 154.27 38.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.481 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.533 -0.746 . . . . 0.0 111.343 179.965 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 121.098 0.475 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.83 149.6 73.38 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.541 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -56.96 -39.06 94.21 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.791 2.327 . . . . 0.0 112.596 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.555 ' HA ' ' CG2' ' A' ' 635' ' ' THR . 24.3 mt -137.46 156.26 48.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.381 179.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 72.13 -170.87 0.14 Allowed 'General case' 0 N--CA 1.47 0.526 0 O-C-N 123.946 0.779 . . . . 0.0 110.776 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.11 42.32 22.52 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.574 179.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 71.2 p -80.7 158.35 25.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.734 0.302 . . . . 0.0 110.806 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -101.9 145.58 29.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.286 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 60.6 t -113.82 119.54 61.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.02 0.438 . . . . 0.0 111.209 -179.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 62.2 tp -109.43 125.58 52.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.596 179.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' B' ' 65' ' ' LEU . 99.3 mttt -101.92 144.74 30.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.002 0.43 . . . . 0.0 111.155 -179.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.88 119.56 25.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.069 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' TYR . . . . . 0.511 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 95.9 m-85 -100.84 131.5 46.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.007 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.4 m -132.13 162.58 39.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -131.52 95.92 3.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.724 -178.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . 0.469 ' N ' HD13 ' B' ' 48' ' ' LEU . . . 92.44 154.29 30.84 Favored Glycine 0 N--CA 1.453 -0.186 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.914 178.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -89.17 76.48 7.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.217 0.532 . . . . 0.0 110.642 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 71.9 p -105.97 154.56 39.4 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.059 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -53.93 -39.88 83.05 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.844 2.363 . . . . 0.0 113.793 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -67.63 -35.48 79.0 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.656 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 67.4 m -71.87 -40.8 68.69 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.224 0.535 . . . . 0.0 109.937 178.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.53 -46.68 91.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.326 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -70.48 -27.6 64.34 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.999 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.97 -44.55 94.38 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.51 0.195 . . . . 0.0 110.99 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.445 ' O ' ' HB3' ' B' ' 29' ' ' ALA . 72.7 mt -64.75 -41.42 95.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.093 178.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.98 -41.73 97.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 85.5 m -69.22 -44.54 71.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.809 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 tt -65.93 -41.66 91.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.789 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' B' ' 25' ' ' LEU . . . -61.04 -40.27 92.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.266 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -61.43 -45.22 95.23 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.791 0.329 . . . . 0.0 110.901 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 95.3 mt -67.01 -43.2 89.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-O 121.354 0.597 . . . . 0.0 110.321 179.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 62.4 tp -63.14 -45.77 90.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.799 -178.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -71.04 -14.94 62.5 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.71 -56.1 2.69 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -178.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -94.91 -25.36 16.59 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -177.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -117.89 30.28 7.35 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -178.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -68.83 122.24 18.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.063 0.459 . . . . 0.0 112.079 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.5 ' HA2' ' O ' ' A' ' 634' ' ' THR . . . 91.38 -11.89 70.84 Favored Glycine 0 CA--C 1.521 0.428 0 CA-C-N 115.852 -0.613 . . . . 0.0 114.447 178.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 10.0 p -108.27 -31.55 2.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 117.615 0.707 . . . . 0.0 112.288 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -123.74 140.42 53.0 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.67 153.9 28.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.213 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 65.2 tp -113.16 136.09 53.11 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -178.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -123.05 131.75 53.83 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 178.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 61.0 t -112.98 122.02 66.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -178.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 82.3 mt -123.24 130.97 74.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.4 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -98.27 112.36 24.38 Favored 'General case' 0 N--CA 1.463 0.176 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 34.6 m -66.25 -30.4 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -177.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.469 HD13 ' N ' ' B' ' 16' ' ' GLY . 86.0 mt -67.58 -38.41 84.02 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 29.6 tptp -69.75 -39.77 76.55 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.804 0.335 . . . . 0.0 111.009 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.501 ' OD1' ' HG3' ' B' ' 52' ' ' GLN . 41.3 t-20 -133.46 84.92 44.78 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.85 -19.07 64.06 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 123.207 2.604 . . . . 0.0 113.77 -178.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.501 ' HG3' ' OD1' ' B' ' 50' ' ' ASN . 4.5 mt-30 -64.8 -36.87 85.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.095 0.474 . . . . 0.0 110.036 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 86.3 mt -64.78 -41.19 96.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.984 -179.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.06 -40.49 96.38 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.663 179.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.17 -37.4 85.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.134 179.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -70.07 -38.73 75.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.086 -178.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -98.61 7.84 45.63 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt 55.8 50.6 13.81 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 37.2 mm -87.53 105.56 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.762 0.315 . . . . 0.0 110.178 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 90.0 mt -105.37 -5.77 20.16 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -148.04 145.21 28.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.775 0.321 . . . . 0.0 111.612 -179.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 66.3 p -142.3 150.28 54.56 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.397 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . 0.511 ' HA ' ' O ' ' B' ' 13' ' ' TYR . 94.7 Cg_endo -77.69 154.61 95.0 Favored 'Cis proline' 0 C--N 1.347 0.475 0 C-N-CA 123.595 -1.419 . . . . 0.0 112.803 -1.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 15.0 t -149.02 148.9 30.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.284 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.47 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 0.5 OUTLIER -109.87 132.38 54.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.091 0.472 . . . . 0.0 110.248 179.365 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.59 137.57 54.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.142 -178.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -100.43 120.71 40.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.386 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 48.5 t -110.02 -59.19 3.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.361 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 90.2 mt -130.23 137.79 31.63 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.288 -179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -81.25 156.63 82.91 Favored 'Cis proline' 0 CA--C 1.534 0.484 0 C-N-CA 123.398 -1.501 . . . . 0.0 112.055 -1.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.6 165.25 23.54 Favored 'Trans proline' 0 N--CA 1.476 0.479 0 C-N-CA 123.04 2.493 . . . . 0.0 112.191 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.33 160.26 96.51 Favored 'Cis proline' 0 C--N 1.354 0.83 0 C-N-CA 124.412 -1.078 . . . . 0.0 114.266 1.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 29.4 m -79.36 150.99 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.913 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.17 145.62 18.16 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.86 -179.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -128.8 139.77 52.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 0.0 111.392 179.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 86.3 mt -122.45 125.44 72.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.111 178.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 81.9 mt -116.28 126.12 73.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -179.96 -173.92 45.37 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.245 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -85.54 107.07 17.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.769 0.319 . . . . 0.0 110.391 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 94.0 mt -83.12 -9.15 59.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.607 -179.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 66.4 m -64.39 -33.08 75.03 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.969 0.414 . . . . 0.0 110.745 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -86.71 113.2 22.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.022 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . 0.426 ' HA ' ' CG1' ' B' ' 86' ' ' VAL . 61.6 ttp180 -59.85 -37.04 78.15 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.477 -179.27 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.23 -46.63 87.97 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 111.579 0.215 . . . . 0.0 111.579 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -71.89 -44.24 64.05 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.426 ' CG1' ' HA ' ' B' ' 83' ' ' ARG . 7.2 p -64.2 -32.57 57.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.332 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 65.4 tp -62.17 -45.8 91.8 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 177.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 86.5 mt -62.91 -47.04 94.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.529 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . 0.415 ' O ' ' HG ' ' B' ' 92' ' ' LEU . . . -62.38 -41.62 98.79 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -179.001 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 5.2 mp -76.41 -34.86 58.82 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 49.2 tpt85 -61.68 -40.82 96.32 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -178.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' B' ' 89' ' ' ALA . 3.1 pp -64.54 -17.86 64.31 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.22 -36.06 82.41 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.627 0.251 . . . . 0.0 110.883 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.464 ' O ' HG23 ' B' ' 97' ' ' ILE . . . -60.02 -41.14 91.54 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.622 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -64.95 -41.55 95.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.566 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . 0.546 ' HA ' ' O ' ' B' ' 100' ' ' TYR . 99.4 mt-10 -64.51 -40.24 95.28 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.6 -179.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.464 HG23 ' O ' ' B' ' 94' ' ' ALA . 10.5 tp -79.53 -35.24 16.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.241 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -65.2 -38.46 95.22 Favored Glycine 0 C--N 1.335 0.524 0 C-N-CA 121.324 -0.465 . . . . 0.0 112.2 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -125.09 -79.54 0.61 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.617 0.246 . . . . 0.0 110.339 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' TYR . . . . . 0.546 ' O ' ' HA ' ' B' ' 96' ' ' GLU . 1.7 t80 -174.91 -167.71 0.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.718 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -135.72 159.01 42.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.5 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 31.3 t0 56.87 47.32 18.08 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 123.562 0.539 . . . . 0.0 111.361 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.63 -40.39 96.75 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.331 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 4.4 t0 69.83 -177.22 0.21 Allowed 'General case' 0 N--CA 1.47 0.532 0 O-C-N 123.784 0.677 . . . . 0.0 111.282 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -89.17 102.5 15.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.568 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.119 -0.943 . . . . 0.0 110.738 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 120.977 0.418 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . -128.17 34.02 3.04 Favored Glycine 0 N--CA 1.454 -0.152 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.619 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . 0.517 ' HA ' ' O ' ' A' ' 639' ' ' GLN . 89.8 mtm180 -88.53 128.15 35.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 111.54 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . . . . . . . . . 87.5 mt -127.56 131.76 69.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.595 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 84.7 t -121.73 129.51 75.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-O 121.194 0.521 . . . . 0.0 111.753 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . 0.524 HD12 ' O ' ' A' ' 660' ' ' LEU . 53.5 tp -106.68 126.09 51.84 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.627 178.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -107.25 108.91 26.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.364 0.602 . . . . 0.0 111.484 -179.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 8.6 t -166.3 179.87 5.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.186 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -120.59 1.22 10.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.779 0.323 . . . . 0.0 110.735 178.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -87.27 110.14 19.99 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.023 0.439 . . . . 0.0 110.968 -179.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 50.8 mp0 -63.31 -35.95 82.08 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.439 -179.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -59.72 -41.56 91.14 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.882 0.326 . . . . 0.0 111.882 -178.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.96 -38.72 64.13 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.59 0.219 . . . . 0.0 111.59 179.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 89.5 p -62.5 -39.83 94.78 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 86.2 m -66.79 -44.29 81.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.826 0.346 . . . . 0.0 111.117 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 5.2 mp -72.64 -50.83 22.54 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 629' ' ' ILE . . . . . . . . . . . . . 36.9 mm -61.19 -46.16 97.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -177.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 630' ' ' CYS . . . . . 0.567 ' SG ' ' HB1' ' B' ' 41' ' ' ALA . 18.3 t -65.31 -44.72 86.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.661 -179.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 631' ' ' SER . . . . . 0.603 ' O ' HG21 ' A' ' 635' ' ' THR . 69.5 m -62.7 -42.35 99.6 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 121.131 -0.228 . . . . 0.0 111.357 -179.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 86.9 mt -61.63 -47.32 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 O-C-N 123.225 0.328 . . . . 0.0 111.816 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 633' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.64 -39.52 62.04 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -179.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 634' ' ' THR . . . . . 0.602 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 89.2 m -64.3 -44.25 92.22 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 635' ' ' THR . . . . . 0.603 HG21 ' O ' ' A' ' 631' ' ' SER . 13.2 t -69.7 -13.34 62.25 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.798 0.332 . . . . 0.0 111.577 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -85.16 -2.03 57.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.176 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 104.62 5.98 41.49 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.957 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 638' ' ' TYR . . . . . 0.602 ' O ' ' HA ' ' A' ' 634' ' ' THR . 96.3 m-85 -100.6 151.76 21.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.759 0.314 . . . . 0.0 110.672 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 639' ' ' GLN . . . . . 0.517 ' O ' ' HA ' ' A' ' 615' ' ' ARG . 0.0 OUTLIER -102.64 108.76 20.14 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.238 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 59.8 t -109.39 128.69 65.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.168 0.509 . . . . 0.0 112.108 -178.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 641' ' ' ILE . . . . . 0.425 HD13 HG21 ' A' ' 641' ' ' ILE . 86.6 mt -115.61 129.36 72.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.22 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 642' ' ' TRP . . . . . . . . . . . . . 68.6 t-105 -91.44 114.68 27.28 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.01 0.433 . . . . 0.0 110.996 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 85.5 mt -114.04 140.56 48.35 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.803 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 8.1 m -74.68 137.6 22.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -64.31 155.78 31.11 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -177.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 103.25 -14.75 54.9 Favored Glycine 0 C--N 1.334 0.441 0 CA-C-N 115.378 -0.828 . . . . 0.0 114.024 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 647' ' ' GLU . . . . . 0.428 ' HB3' ' HE ' ' A' ' 650' ' ' ARG . 78.9 mm-40 -114.59 101.18 8.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 117.908 0.854 . . . . 0.0 112.735 -179.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 86.6 t -71.31 -40.39 73.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.592 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.79 -38.01 80.72 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . 0.428 ' HE ' ' HB3' ' A' ' 647' ' ' GLU . 0.1 OUTLIER -63.2 -37.29 86.66 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 177.434 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 96.3 mt -65.45 -39.74 92.41 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.688 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.94 -37.05 81.14 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.695 179.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -59.0 -40.52 85.13 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.251 0.548 . . . . 0.0 111.077 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 86.8 mt -109.95 29.75 7.34 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.657 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 655' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -29.69 103.14 0.18 Allowed Pre-proline 0 N--CA 1.479 1.005 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -178.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -84.52 171.12 10.04 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.455 2.77 . . . . 0.0 112.449 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.484 ' O ' HD22 ' A' ' 724' ' ' LEU . 48.5 pt -80.3 -25.31 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.438 0.637 . . . . 0.0 109.624 178.154 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -149.64 150.03 31.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.283 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 16.6 m -119.09 143.07 31.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.013 0.435 . . . . 0.0 110.808 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . 0.524 ' O ' HD12 ' A' ' 618' ' ' LEU . 79.3 mt -117.5 125.54 51.05 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.288 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 1.3 mp -115.73 124.9 51.99 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -105.06 128.39 53.31 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -90.89 155.54 45.13 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.101 178.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 664' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -75.87 158.23 98.11 Favored 'Cis proline' 0 C--N 1.351 0.658 0 C-N-CA 124.204 -1.165 . . . . 0.0 113.188 -0.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -95.8 79.97 3.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.975 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 79.1 p -65.01 -36.63 85.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.471 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -126.12 115.59 20.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.108 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 90.6 148.4 20.65 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 121.025 -0.607 . . . . 0.0 111.949 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -96.86 119.2 34.89 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.414 -0.462 . . . . 0.0 110.294 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 670' ' ' VAL . . . . . 0.534 ' O ' HG22 ' A' ' 674' ' ' VAL . 33.7 m -63.09 -33.99 64.05 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 C-N-CA 121.071 -0.251 . . . . 0.0 110.764 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -64.8 -39.42 93.56 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -62.32 -45.42 93.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.213 178.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.6 -41.41 98.33 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.914 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . 0.534 HG22 ' O ' ' A' ' 670' ' ' VAL . 54.2 t -61.17 -47.82 91.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.846 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -63.13 -43.61 97.91 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.593 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -64.6 -40.28 95.22 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.322 -0.399 . . . . 0.0 112.019 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 86.1 mt -63.98 -38.8 92.4 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.832 -0.167 . . . . 0.0 111.143 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -61.78 -38.21 87.2 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.893 0.377 . . . . 0.0 111.195 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -65.53 -37.26 86.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.858 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -88.01 -40.04 14.19 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -177.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 74.7 m -126.37 143.88 51.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.902 0.382 . . . . 0.0 112.018 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 69.5 p -76.61 155.73 83.32 Favored Pre-proline 0 CA--C 1.535 0.404 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.557 179.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.98 -27.42 84.75 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 122.501 2.134 . . . . 0.0 113.508 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -74.15 -18.57 60.76 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.789 0.328 . . . . 0.0 110.733 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -101.5 -35.58 9.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.284 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 686' ' ' LEU . . . . . . . . . . . . . 57.3 tp -135.81 127.56 29.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.957 0.408 . . . . 0.0 111.342 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -107.75 149.09 28.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.453 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 688' ' ' ILE . . . . . 0.501 ' O ' HG13 ' A' ' 700' ' ' VAL . 72.5 mt -112.74 128.98 69.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.015 -177.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -127.56 143.38 51.18 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.928 178.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 690' ' ' ILE . . . . . 0.4 HD12 HG21 ' A' ' 690' ' ' ILE . 95.0 mt -121.5 130.98 74.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-O 121.082 0.467 . . . . 0.0 112.077 -179.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 691' ' ' LEU . . . . . 0.448 ' HG ' ' HB ' ' A' ' 704' ' ' ILE . 3.3 mp -102.47 127.8 49.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.66 178.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 134.24 -65.89 0.57 Allowed Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.521 -0.847 . . . . 0.0 113.023 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 5.4 t -137.12 -169.2 2.44 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -145.09 149.14 34.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.072 0.463 . . . . 0.0 111.959 -179.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . 81.13 -0.07 88.06 Favored Glycine 0 C--N 1.333 0.411 0 CA-C-N 115.543 -0.753 . . . . 0.0 114.161 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -63.31 -52.09 63.36 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 117.367 0.583 . . . . 0.0 111.777 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -129.82 143.22 50.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.117 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -82.05 158.58 23.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.786 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 97.97 9.46 54.06 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.557 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 700' ' ' VAL . . . . . 0.501 HG13 ' O ' ' A' ' 688' ' ' ILE . 58.2 t -104.52 123.98 58.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.27 -45.38 88.31 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -147.98 141.39 25.3 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.66 0.266 . . . . 0.0 110.724 -179.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -107.33 138.87 42.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.024 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 704' ' ' ILE . . . . . 0.448 ' HB ' ' HG ' ' A' ' 691' ' ' LEU . 1.4 mm -112.76 98.7 45.69 Favored Pre-proline 0 C--N 1.331 -0.218 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -71.34 148.17 54.44 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.364 2.043 . . . . 0.0 113.039 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . . . . . . . . . 88.0 mt -98.95 149.74 36.03 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.952 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 707' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.95 154.73 99.76 Favored 'Cis proline' 0 C--N 1.352 0.718 0 C-N-CA 123.77 -1.346 . . . . 0.0 112.682 -0.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 708' ' ' ILE . . . . . . . . . . . . . 41.6 pt -107.59 155.05 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.252 0.549 . . . . 0.0 111.616 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -111.42 148.0 37.87 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 178.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -52.35 -51.02 12.07 Favored 'Trans proline' 0 N--CA 1.475 0.425 0 C-N-CA 122.374 2.049 . . . . 0.0 113.461 -178.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -67.05 -40.13 87.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.277 179.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 68.6 m -62.85 -47.2 84.41 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.091 -179.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 713' ' ' PHE . . . . . 0.44 ' O ' HG23 ' A' ' 717' ' ' VAL . 82.2 t80 -60.51 -49.08 78.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.799 179.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 2.9 tt -60.72 -44.26 96.84 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.088 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -63.62 -42.85 98.16 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 121.103 -0.239 . . . . 0.0 111.357 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -65.56 -41.49 92.91 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.734 -0.212 . . . . 0.0 111.192 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 717' ' ' VAL . . . . . 0.663 ' O ' ' HG ' ' A' ' 721' ' ' LEU . 61.8 t -65.58 -46.23 90.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.82 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 91.4 m -60.83 -46.22 91.38 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.53 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 63.5 mtt -63.24 -39.07 93.58 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.829 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -71.53 -16.0 75.59 Favored Glycine 0 CA--C 1.522 0.511 0 C-N-CA 120.952 -0.642 . . . . 0.0 113.14 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 721' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' ' 717' ' ' VAL . 97.3 mt -92.0 -1.22 57.36 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 722' ' ' THR . . . . . 0.462 ' C ' ' H ' ' A' ' 724' ' ' LEU . 73.5 p -68.61 151.71 46.36 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.489 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 33.8 m 71.77 -36.95 0.38 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.275 0.63 . . . . 0.0 111.462 -178.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 724' ' ' LEU . . . . . 0.484 HD22 ' O ' ' A' ' 657' ' ' ILE . 64.3 tp -62.16 -49.2 76.77 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 123.002 0.521 . . . . 0.0 111.284 179.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -164.17 171.27 15.25 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.412 -179.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 76.1 p -76.85 160.44 29.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.538 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 80.4 p -139.24 155.89 47.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.727 0.298 . . . . 0.0 111.198 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -63.57 -40.02 95.9 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.665 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.38 -0.819 . . . . 0.0 110.721 -179.812 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 120.949 0.404 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.58 116.5 66.32 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -56.61 -39.2 93.01 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.947 2.431 . . . . 0.0 113.11 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 59.2 tp -129.9 117.77 20.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.349 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.69 38.63 0.48 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.626 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -84.48 82.66 8.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.014 0.435 . . . . 0.0 111.822 -178.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.1 p -129.61 155.11 46.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.353 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.91 145.9 27.28 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 64.6 t -109.78 117.5 54.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.292 0.567 . . . . 0.0 112.204 -178.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 7.9 mp -99.98 115.6 30.08 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.455 178.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -102.35 109.22 20.82 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.943 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.99 115.71 27.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.055 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' TYR . . . . . 0.416 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 42.0 m-85 -95.85 130.59 42.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.974 179.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 27.8 m -131.83 164.3 35.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.052 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.33 108.9 11.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.082 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.47 176.62 43.12 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.066 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -111.7 29.51 7.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.863 0.363 . . . . 0.0 110.659 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 61.0 p -70.1 157.06 90.74 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.562 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -55.18 -34.58 88.35 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.161 2.574 . . . . 0.0 113.344 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -60.41 -44.63 95.53 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.816 0.341 . . . . 0.0 110.783 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 73.3 m -68.16 -39.23 82.67 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.593 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 70.0 t -65.94 -45.85 89.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.322 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' B' ' 23' ' ' ARG . 17.6 ttm105 -62.78 -39.24 93.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.965 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.65 -40.56 88.1 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.948 -179.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.43 ' O ' ' HB3' ' B' ' 29' ' ' ALA . 85.2 mt -62.2 -41.6 98.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.208 178.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.49 -40.17 96.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.758 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 92.6 m -63.0 -47.49 82.9 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.314 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 mp -70.84 -39.67 72.85 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.668 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' B' ' 25' ' ' LEU . . . -60.93 -41.21 95.79 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.282 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -61.16 -43.07 99.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.849 0.356 . . . . 0.0 111.036 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.2 mt -69.91 -41.76 79.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.84 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.73 -41.1 79.45 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.851 -179.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.95 -22.03 62.27 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -98.56 -59.95 1.64 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -178.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -90.44 -24.59 20.69 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -176.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -120.11 29.91 7.27 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -177.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -68.37 125.88 27.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.756 0.312 . . . . 0.0 110.671 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.77 16.67 78.73 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.954 -0.641 . . . . 0.0 113.354 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 42.7 t -107.75 -50.29 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.869 0.335 . . . . 0.0 111.035 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -149.98 165.48 32.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.204 0.526 . . . . 0.0 111.802 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.567 ' HB1' ' SG ' ' A' ' 630' ' ' CYS . . . -111.64 157.64 20.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.194 -177.424 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 tt -126.91 130.94 51.11 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.998 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -114.34 145.79 41.34 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 58.4 t -118.53 125.01 74.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.755 0.312 . . . . 0.0 111.454 -179.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 2.3 mp -123.7 134.27 66.88 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-O 121.024 0.44 . . . . 0.0 111.365 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -97.71 113.42 25.18 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.389 178.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 35.1 m -61.91 -29.19 45.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -178.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 91.4 mt -66.53 -39.5 88.65 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -70.43 -38.91 74.63 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.508 ' OD1' ' HG2' ' B' ' 52' ' ' GLN . 11.1 t-20 -144.23 86.4 8.32 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-O 120.687 0.28 . . . . 0.0 110.706 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -56.39 -32.78 89.95 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.627 2.885 . . . . 0.0 114.006 -179.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.508 ' HG2' ' OD1' ' B' ' 50' ' ' ASN . 26.3 pt20 -63.71 -26.01 68.46 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -178.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.77 -41.74 95.64 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.934 0.397 . . . . 0.0 110.229 179.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.18 -38.9 82.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.457 178.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.2 -37.13 84.13 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.435 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.23 -39.25 93.57 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.497 -178.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -99.41 8.36 44.68 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 58.43 47.92 12.97 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.431 0.457 . . . . 0.0 112.152 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 45.8 mm -87.61 112.51 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.911 0.386 . . . . 0.0 110.597 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 89.7 mt -113.2 9.91 18.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.55 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -146.09 164.27 32.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.645 0.26 . . . . 0.0 111.156 -179.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -159.72 137.71 7.37 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.291 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . 0.416 ' HA ' ' O ' ' B' ' 13' ' ' TYR . 73.8 Cg_endo -74.78 145.6 84.39 Favored 'Cis proline' 0 C--N 1.351 0.685 0 C-N-CA 123.247 -1.564 . . . . 0.0 112.965 -1.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 93.4 m -134.99 136.82 42.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.052 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 5.8 tt -99.75 120.93 40.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.916 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -109.17 131.47 55.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.531 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -99.79 123.94 44.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.268 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 22.6 t -97.74 -56.21 5.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.782 0.325 . . . . 0.0 111.251 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.467 ' HA ' ' C ' ' B' ' 70' ' ' PRO . 2.7 pt? -158.92 159.48 29.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.344 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . 0.467 ' C ' ' HA ' ' B' ' 69' ' ' LEU . 32.0 Cg_exo -62.72 142.64 42.27 Favored 'Cis proline' 0 C--N 1.354 0.842 0 C-N-CA 124.397 -1.085 . . . . 0.0 113.061 -1.016 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -65.28 165.12 23.17 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.06 2.506 . . . . 0.0 111.995 178.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -72.31 162.2 90.78 Favored 'Cis proline' 0 C--N 1.354 0.858 0 C-N-CA 124.57 -1.012 . . . . 0.0 114.394 1.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 33.6 m -88.56 149.14 4.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.202 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -159.03 162.67 36.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.545 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 95.8 mtm-85 -124.73 142.05 51.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.775 0.321 . . . . 0.0 110.848 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 80.5 mt -116.11 120.53 65.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.187 179.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 82.5 mt -119.85 126.2 75.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.13 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 175.45 -170.67 43.73 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.297 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -84.41 106.61 16.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.726 0.298 . . . . 0.0 110.512 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 96.8 mt -85.0 -5.86 59.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.493 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 71.1 m -65.87 -32.44 73.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.812 178.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.426 ' O ' HG21 ' B' ' 86' ' ' VAL . 56.0 t-20 -84.62 110.8 19.0 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.434 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.48 -37.93 82.63 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.648 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -58.85 -46.69 87.13 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 120.708 0.29 . . . . 0.0 110.947 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -66.95 -41.03 87.64 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.63 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.426 HG21 ' O ' ' B' ' 82' ' ' ASN . 76.4 t -60.17 -42.74 91.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.556 -179.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . 0.487 ' O ' ' HG2' ' B' ' 91' ' ' ARG . 62.8 tp -59.99 -42.79 94.96 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 86.2 mt -60.72 -48.03 90.5 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.241 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.39 -40.45 95.82 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.741 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 5.2 mp -67.45 -33.18 74.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.044 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' B' ' 87' ' ' LEU . 40.1 mmt180 -62.24 -37.63 86.15 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.785 0.326 . . . . 0.0 110.397 178.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.47 -39.63 94.04 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.038 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.98 -40.52 95.1 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.162 178.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.58 ' O ' HG21 ' B' ' 97' ' ' ILE . . . -63.21 -37.61 87.9 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.391 179.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.08 -42.45 94.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.59 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -65.02 -44.32 89.57 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.607 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.58 HG21 ' O ' ' B' ' 94' ' ' ALA . 10.5 tp -70.89 -28.83 34.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 120.781 0.324 . . . . 0.0 111.646 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.41 -8.89 87.4 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.81 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 30.6 t0 57.26 45.64 19.98 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.106 0.479 . . . . 0.0 111.174 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -128.71 130.41 47.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.306 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 38.1 mtmm -101.39 131.0 47.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.581 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . 0.512 ' OD2' ' HB2' ' B' ' 104' ' ' ASP . 36.1 t70 -63.68 -40.44 96.82 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.27 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 31.2 t0 58.11 50.87 9.36 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.717 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . 0.512 ' HB2' ' OD2' ' B' ' 102' ' ' ASP . 44.3 t0 -87.32 104.26 16.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.492 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -156.84 159.96 38.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.277 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 12.2 tptp . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.635 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.933 0.397 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . -167.35 169.96 41.33 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.499 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -83.08 135.11 34.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.167 0.508 . . . . 0.0 111.794 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 616' ' ' ILE . . . . . 0.495 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 24.8 mm -124.03 128.12 73.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.921 179.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 617' ' ' VAL . . . . . 0.434 ' HB ' ' HG3' ' A' ' 656' ' ' PRO . 69.0 t -118.05 124.9 73.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.152 0.501 . . . . 0.0 111.205 178.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 63.7 tp -104.11 120.53 41.29 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 2.0 t -113.35 98.17 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.961 0.41 . . . . 0.0 110.489 -179.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 37.2 t -158.32 144.8 17.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.463 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 621' ' ' GLU . . . . . 0.478 ' HG2' ' OD1' ' A' ' 645' ' ' ASP . 70.4 mm-40 -73.88 -19.59 60.67 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 120.842 0.353 . . . . 0.0 111.01 179.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -79.88 110.55 15.35 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.293 -0.412 . . . . 0.0 112.042 -177.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 50.6 mp0 -70.16 -23.04 62.92 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.376 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.42 96.94 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.674 0.273 . . . . 0.0 111.406 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 625' ' ' THR . . . . . 0.53 ' O ' ' HB ' ' A' ' 629' ' ' ILE . 0.8 OUTLIER -75.3 -23.86 57.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.107 178.653 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 49.4 m -62.06 -48.82 78.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.494 -178.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 85.4 m -69.97 -44.19 69.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.936 0.398 . . . . 0.0 111.507 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 66.0 tp -65.17 -47.46 76.91 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -178.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 629' ' ' ILE . . . . . 0.53 ' HB ' ' O ' ' A' ' 625' ' ' THR . 0.6 OUTLIER -73.87 -41.45 53.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -177.479 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 630' ' ' CYS . . . . . 0.548 ' SG ' HG13 ' A' ' 640' ' ' VAL . 91.0 m -62.73 -42.18 99.53 Favored 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.335 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 61.5 m -63.62 -42.86 98.16 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.629 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.44 -50.52 79.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 633' ' ' LEU . . . . . . . . . . . . . 78.2 mt -72.81 -40.16 66.05 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 634' ' ' THR . . . . . 0.687 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 87.4 m -65.37 -41.86 93.36 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -178.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 635' ' ' THR . . . . . . . . . . . . . 39.2 m -62.07 -37.03 83.46 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.086 0.47 . . . . 0.0 110.078 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -68.81 -7.41 33.94 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.463 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 108.41 7.29 30.43 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.52 -0.848 . . . . 0.0 113.876 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 638' ' ' TYR . . . . . 0.687 ' O ' ' HA ' ' A' ' 634' ' ' THR . 85.7 m-85 -96.12 148.56 22.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.881 0.341 . . . . 0.0 110.345 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -98.42 104.36 16.39 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 179.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 640' ' ' VAL . . . . . 0.548 HG13 ' SG ' ' A' ' 630' ' ' CYS . 43.9 t -102.72 128.87 55.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -177.152 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 641' ' ' ILE . . . . . . . . . . . . . 85.8 mt -121.71 127.47 75.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 114.913 -1.04 . . . . 0.0 108.748 177.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 642' ' ' TRP . . . . . 0.423 ' CH2' HG21 ' A' ' 644' ' ' VAL . 74.7 t90 -95.61 122.08 37.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.026 0.441 . . . . 0.0 111.159 -179.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 69.4 mt -117.08 138.45 51.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.896 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 644' ' ' VAL . . . . . 0.423 HG21 ' CH2' ' A' ' 642' ' ' TRP . 56.8 t -75.75 131.45 34.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . 0.478 ' OD1' ' HG2' ' A' ' 621' ' ' GLU . 5.7 p-10 -66.55 166.28 12.99 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -177.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 101.48 -17.82 54.61 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 114.802 -1.09 . . . . 0.0 112.763 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -115.29 103.13 10.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.897 0.349 . . . . 0.0 111.381 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 68.9 t -68.66 -39.88 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.56 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -58.61 -36.9 74.77 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.79 0.329 . . . . 0.0 110.129 178.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 25.1 tpp180 -61.67 -41.29 97.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.564 177.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.35 -41.62 89.26 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.009 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 8.0 mp -65.88 -39.18 90.44 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.383 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -58.85 -42.06 88.45 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 120.867 0.365 . . . . 0.0 111.609 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 3.4 mp -110.82 30.26 7.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.884 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 655' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 655' ' ' THR . 8.5 t -52.63 112.94 3.87 Favored Pre-proline 0 N--CA 1.469 0.523 0 CA-C-O 121.97 0.891 . . . . 0.0 112.927 -177.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 656' ' ' PRO . . . . . 0.434 ' HG3' ' HB ' ' A' ' 617' ' ' VAL . 23.8 Cg_endo -90.31 -168.23 0.28 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 124.388 3.392 . . . . 0.0 112.743 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 44.3 pt -93.57 -14.05 8.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.726 177.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -148.35 136.38 21.03 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.812 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 86.7 t -119.21 129.9 74.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 120.808 0.337 . . . . 0.0 111.172 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 78.7 mt -106.41 122.93 47.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.842 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 88.5 mt -112.97 121.06 43.53 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -121.99 128.31 51.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.872 0.368 . . . . 0.0 111.988 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . 0.514 ' HB2' ' HA ' ' A' ' 664' ' ' PRO . 24.3 pt-20 -80.58 163.17 57.79 Favored Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.364 179.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 664' ' ' PRO . . . . . 0.514 ' HA ' ' HB2' ' A' ' 663' ' ' GLU . 75.3 Cg_endo -82.2 160.72 78.16 Favored 'Cis proline' 0 C--N 1.353 0.787 0 C-N-CA 124.658 -0.976 . . . . 0.0 113.876 -0.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 665' ' ' PHE . . . . . 0.45 ' CD1' ' HB ' ' A' ' 670' ' ' VAL . 75.2 m-85 -110.98 106.41 15.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.978 178.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 666' ' ' SER . . . . . 0.408 ' OG ' ' HG3' ' A' ' 621' ' ' GLU . 83.0 p -69.44 -36.72 76.92 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -179.227 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -124.15 118.5 27.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.914 0.388 . . . . 0.0 110.992 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 88.06 160.11 35.4 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.56 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 669' ' ' ASP . . . . . 0.682 ' O ' ' HG2' ' A' ' 672' ' ' GLU . 99.8 m-20 -95.9 136.08 36.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.663 0.268 . . . . 0.0 110.401 179.387 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 670' ' ' VAL . . . . . 0.45 ' HB ' ' CD1' ' A' ' 665' ' ' PHE . 7.1 p -65.19 -29.51 47.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.935 0.397 . . . . 0.0 111.195 179.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -64.16 -39.35 93.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.762 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . 0.682 ' HG2' ' O ' ' A' ' 669' ' ' ASP . 10.5 pt-20 -69.51 -30.13 67.91 Favored 'General case' 0 CA--C 1.528 0.101 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.087 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 84.2 mt -64.39 -41.1 96.84 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 120.803 0.335 . . . . 0.0 110.901 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 74.6 t -62.22 -46.19 97.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.884 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -62.45 -44.81 95.5 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.557 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -62.76 -42.87 99.88 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.685 0.279 . . . . 0.0 111.406 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 89.0 mt -65.75 -39.84 91.48 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.736 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -38.66 92.03 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.203 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -64.21 -36.77 85.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.797 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -87.42 -42.43 12.83 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -178.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 77.1 m -125.06 134.06 52.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.723 0.297 . . . . 0.0 110.751 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 30.7 p -71.88 157.42 89.61 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.889 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -56.15 -34.63 93.62 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.922 2.414 . . . . 0.0 113.177 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -72.68 -22.28 60.94 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.28 -35.43 11.25 Favored 'General case' 0 C--N 1.334 -0.093 0 C-N-CA 121.071 -0.251 . . . . 0.0 111.58 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 686' ' ' LEU . . . . . . . . . . . . . 63.4 tp -129.29 130.75 46.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.645 0.259 . . . . 0.0 110.734 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -102.13 140.26 36.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 110.32 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 688' ' ' ILE . . . . . 0.48 ' O ' ' HA ' ' A' ' 700' ' ' VAL . 82.1 mt -118.81 128.98 75.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.11 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -119.44 139.98 51.16 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 41.0 mm -112.33 127.09 69.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.415 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 691' ' ' LEU . . . . . 0.419 ' HG ' ' HB ' ' A' ' 704' ' ' ILE . 2.7 mp -107.41 122.41 46.54 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.892 0.377 . . . . 0.0 111.941 -179.594 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 98.54 -20.1 51.78 Favored Glycine 0 CA--C 1.519 0.316 0 N-CA-C 115.06 0.784 . . . . 0.0 115.06 177.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 85.9 p -139.05 163.94 31.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 117.936 0.868 . . . . 0.0 111.76 -179.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . 0.496 ' HA ' ' CD2' ' A' ' 703' ' ' TYR . 64.3 pttt -146.65 159.61 43.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.451 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . 172.21 -173.37 45.23 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.176 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -87.43 83.74 7.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.787 0.327 . . . . 0.0 110.771 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -125.64 143.86 50.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.62 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -91.48 146.33 23.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.534 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 93.75 -9.6 73.27 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.707 -0.759 . . . . 0.0 113.128 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 700' ' ' VAL . . . . . 0.48 ' HA ' ' O ' ' A' ' 688' ' ' ILE . 59.8 t -98.49 108.77 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -70.84 -41.67 71.18 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -146.78 143.58 28.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.088 0.47 . . . . 0.0 112.086 -178.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 703' ' ' TYR . . . . . 0.496 ' CD2' ' HA ' ' A' ' 694' ' ' LYS . 96.1 m-85 -106.5 134.8 49.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.946 178.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 704' ' ' ILE . . . . . 0.419 ' HB ' ' HG ' ' A' ' 691' ' ' LEU . 4.7 mp -109.24 112.35 59.54 Favored Pre-proline 0 C--N 1.327 -0.385 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 705' ' ' PRO . . . . . 0.65 ' O ' HG21 ' A' ' 708' ' ' ILE . 66.1 Cg_endo -71.95 153.41 58.11 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 122.88 2.387 . . . . 0.0 113.456 -179.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 706' ' ' LEU . . . . . 0.497 ' CD1' ' HA ' ' A' ' 707' ' ' PRO . 30.1 tp -109.35 138.08 20.42 Favored Pre-proline 0 CA--C 1.533 0.322 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.729 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 707' ' ' PRO . . . . . 0.497 ' HA ' ' CD1' ' A' ' 706' ' ' LEU . 61.5 Cg_endo -70.79 157.15 95.19 Favored 'Cis proline' 0 C--N 1.355 0.87 0 C-N-CA 124.365 -1.098 . . . . 0.0 113.388 0.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 708' ' ' ILE . . . . . 0.65 HG21 ' O ' ' A' ' 705' ' ' PRO . 19.5 pt -106.61 153.67 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.088 -179.176 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -111.7 146.58 35.01 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -53.52 -51.65 10.41 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.451 2.101 . . . . 0.0 113.634 -178.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 48.9 mp0 -66.99 -40.2 87.33 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.383 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 69.1 m -63.59 -46.7 84.64 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.17 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 713' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -60.25 -49.03 79.23 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.086 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 63.0 tp -61.49 -43.59 98.6 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.996 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -63.81 -41.91 97.8 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 121.151 -0.22 . . . . 0.0 111.511 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -64.54 -41.39 96.39 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 121.099 -0.24 . . . . 0.0 110.9 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 717' ' ' VAL . . . . . 0.503 ' O ' HD23 ' A' ' 721' ' ' LEU . 68.8 t -65.7 -45.64 91.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.814 0.34 . . . . 0.0 110.318 178.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 89.4 m -60.96 -46.53 90.35 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.27 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -39.44 94.02 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.648 179.248 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -63.35 -40.78 99.32 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.208 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 721' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 717' ' ' VAL . 3.8 mm? -70.62 -22.2 62.56 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.551 0.215 . . . . 0.0 111.277 179.458 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 94.0 m -61.24 -40.68 94.93 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.2 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 74.1 m -63.07 -39.66 95.37 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.582 178.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 724' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.6 -46.31 86.37 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.469 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -148.91 142.29 25.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.858 0.361 . . . . 0.0 111.273 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 71.9 p -80.97 162.77 23.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.422 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 49.7 m 58.8 39.88 23.57 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.709 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -114.6 134.29 55.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.699 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 7.7 tm0? . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.517 179.978 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.3 mmt . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.691 0.282 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.81 100.05 51.04 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.774 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -57.21 -40.81 79.86 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.95 2.433 . . . . 0.0 113.058 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 mp 48.72 52.8 13.35 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.693 0.621 . . . . 0.0 112.434 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.52 98.8 8.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.684 -0.235 . . . . 0.0 110.781 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -142.57 65.62 1.35 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.952 0.406 . . . . 0.0 110.598 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 51.5 p -132.11 159.44 38.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.42 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.469 ' HB2' ' CD2' ' B' ' 40' ' ' TYR . . . -107.65 150.32 27.05 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 65.4 t -122.46 127.26 75.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -177.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 83.6 mt -110.17 139.94 44.8 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.688 178.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -118.1 146.26 44.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.647 0.26 . . . . 0.0 110.941 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.438 HD23 ' O ' ' B' ' 43' ' ' LYS . 0.2 OUTLIER -140.86 134.86 30.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.113 0.482 . . . . 0.0 111.298 179.146 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' TYR . . . . . 0.438 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 75.8 m-85 -102.12 129.89 48.58 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.348 179.185 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.417 ' HB ' ' OG ' ' B' ' 21' ' ' SER . 15.9 m -140.56 174.25 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.15 -178.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.24 145.65 24.28 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.449 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.98 131.21 17.76 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 114.911 0.724 . . . . 0.0 114.911 -178.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 51.34 39.97 25.34 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 178.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.3 p -106.59 136.99 19.33 Favored Pre-proline 0 C--N 1.321 -0.657 0 C-N-CA 120.368 -0.533 . . . . 0.0 109.628 178.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -53.55 -40.28 79.59 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.821 2.348 . . . . 0.0 113.584 -178.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -63.32 -40.85 98.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.039 0.447 . . . . 0.0 110.176 179.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.417 ' OG ' ' HB ' ' B' ' 14' ' ' VAL . 43.3 t -70.65 -42.66 70.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.88 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.25 -47.25 92.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.841 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -68.21 -38.19 81.66 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.671 179.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.52 ' O ' HG21 ' B' ' 27' ' ' THR . . . -60.82 -40.94 94.64 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -179.331 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -64.19 -38.48 91.19 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.686 0.279 . . . . 0.0 111.013 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.29 -40.63 97.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.081 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.52 HG21 ' O ' ' B' ' 24' ' ' ALA . 5.9 t -76.82 -39.01 52.81 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.922 -179.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.49 HD11 ' O ' ' B' ' 24' ' ' ALA . 4.8 mp -64.52 -42.73 95.58 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.689 0.28 . . . . 0.0 110.644 179.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.61 -40.55 97.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.043 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -63.13 -44.73 94.76 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.388 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.0 -45.29 99.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.145 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.53 -42.7 98.41 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.722 -179.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.641 ' O ' ' HB2' ' B' ' 37' ' ' LYS . 44.4 tt0 -67.6 -43.75 79.76 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -67.03 -44.75 79.45 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -177.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -95.99 -44.52 7.31 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -177.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -129.59 60.0 1.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -176.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.641 ' HB2' ' O ' ' B' ' 33' ' ' GLU . 39.5 ttpt -72.97 134.94 44.91 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.837 -179.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.67 5.28 88.38 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.867 -0.682 . . . . 0.0 113.992 178.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -111.67 -68.01 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 117.288 0.544 . . . . 0.0 111.137 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' TYR . . . . . 0.505 ' CE1' ' HA ' ' B' ' 94' ' ' ALA . 62.8 m-85 -92.96 137.64 32.18 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -105.25 150.47 25.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.231 177.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 48.9 tp -118.71 127.61 53.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -177.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.438 ' O ' HD23 ' B' ' 12' ' ' LEU . 46.0 mtmt -114.55 141.61 47.51 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.392 178.064 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 7.7 p -127.09 138.31 55.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 121.21 0.529 . . . . 0.0 112.248 -178.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.2 mp -126.86 132.28 70.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.957 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -92.61 118.38 30.96 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 29.0 m -74.02 -24.58 19.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -177.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 86.9 mt -65.23 -40.84 94.61 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -179.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -74.81 -39.95 61.38 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.644 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -130.57 81.44 67.74 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.112 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -56.81 -31.14 87.62 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.089 2.526 . . . . 0.0 113.045 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 18.6 pm0 -64.15 -26.02 68.34 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 89.1 mt -65.13 -41.28 94.96 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.789 0.328 . . . . 0.0 110.731 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.23 -40.49 90.33 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.149 0.499 . . . . 0.0 110.396 178.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.54 -38.09 89.82 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.673 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -61.68 -39.79 92.68 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.652 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -92.0 8.13 39.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.964 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt 57.35 38.84 28.61 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.337 0.655 . . . . 0.0 112.576 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 91.1 mt -111.39 122.9 66.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.69 0.281 . . . . 0.0 110.868 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -116.99 19.78 14.14 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 -179.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -146.13 150.65 36.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.824 -0.171 . . . . 0.0 110.773 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 75.1 p -141.89 149.52 53.21 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.779 -0.191 . . . . 0.0 111.205 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . 0.438 ' HA ' ' O ' ' B' ' 13' ' ' TYR . 89.5 Cg_endo -80.05 146.76 75.47 Favored 'Cis proline' 0 C--N 1.35 0.627 0 C-N-CA 123.532 -1.445 . . . . 0.0 112.969 -1.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' B' ' 12' ' ' LEU . 97.5 m -131.06 135.62 47.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.681 179.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 89.4 mt -99.8 129.77 45.93 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.027 0.442 . . . . 0.0 111.117 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -117.27 131.81 56.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.995 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.527 ' HE2' ' O ' ' B' ' 70' ' ' PRO . 87.0 tttt -95.63 124.15 39.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.666 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 41.1 t -104.36 -62.81 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.802 0.334 . . . . 0.0 110.762 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 90.6 mt -135.12 146.58 58.93 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.391 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . 0.527 ' O ' ' HE2' ' B' ' 67' ' ' LYS . 96.0 Cg_endo -77.48 158.06 95.61 Favored 'Cis proline' 0 C--N 1.348 0.54 0 C-N-CA 123.678 -1.384 . . . . 0.0 112.104 -1.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.82 165.33 32.47 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 122.45 2.1 . . . . 0.0 112.331 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.47 158.61 97.24 Favored 'Cis proline' 0 C--N 1.353 0.785 0 C-N-CA 124.319 -1.117 . . . . 0.0 114.068 1.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 35.7 m -83.22 151.78 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.247 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 -158.73 162.99 37.2 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.288 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 44.4 ptt85 -129.41 142.1 50.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.893 0.378 . . . . 0.0 110.66 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 82.9 mt -121.69 124.18 71.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.987 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -116.33 125.81 73.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.943 179.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 179.88 -171.59 43.1 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.329 -0.938 . . . . 0.0 112.502 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -85.64 104.94 15.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.782 0.325 . . . . 0.0 110.597 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 94.0 mt -91.96 0.76 57.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.29 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 55.5 m -66.02 -33.51 75.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.086 0.47 . . . . 0.0 110.568 179.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.422 ' O ' HG21 ' B' ' 86' ' ' VAL . 62.6 t-20 -92.26 119.21 31.64 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.341 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -59.43 -37.72 78.8 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.466 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.92 -44.84 91.39 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 120.849 0.357 . . . . 0.0 110.54 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.89 -39.07 83.69 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.923 179.458 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.422 HG21 ' O ' ' B' ' 82' ' ' ASN . 86.0 t -60.68 -42.45 91.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.367 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 75.9 mt -60.62 -39.35 87.87 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-O 120.665 0.269 . . . . 0.0 110.952 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 90.2 mt -61.32 -47.02 95.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.048 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -85.29 -46.48 10.97 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -178.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 48.6 tp -66.13 -40.07 90.37 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -177.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -62.07 -34.74 76.84 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.591 0.234 . . . . 0.0 110.999 -179.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.41 -37.6 81.37 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.426 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.15 -39.68 93.43 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.085 178.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.595 ' O ' HG22 ' B' ' 97' ' ' ILE . . . -62.95 -39.7 95.43 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.417 179.238 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.48 -33.24 73.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.391 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -59.51 -38.88 82.1 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.372 -178.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.595 HG22 ' O ' ' B' ' 94' ' ' ALA . 14.0 tt -67.81 -26.0 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-O 120.811 0.338 . . . . 0.0 111.171 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -74.74 -13.56 82.12 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 121.033 -0.604 . . . . 0.0 112.925 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -85.6 75.36 10.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.978 0.418 . . . . 0.0 110.508 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -133.53 128.69 35.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.223 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -89.57 128.19 35.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.933 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -154.49 160.24 41.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.0 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -86.18 179.0 7.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.794 0.331 . . . . 0.0 110.959 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -157.7 160.11 37.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.106 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -156.29 157.93 36.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.35 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.238 -0.887 . . . . 0.0 111.469 -179.887 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 613' ' ' GLU . . . . . 0.418 ' O ' HD13 ' A' ' 657' ' ' ILE . 47.0 mt-10 . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 121.011 0.434 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . -114.29 25.16 10.76 Favored Glycine 0 CA--C 1.517 0.194 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.764 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -93.32 123.76 36.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.063 0.459 . . . . 0.0 111.386 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.494 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 86.4 mt -123.09 131.61 72.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.229 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 617' ' ' VAL . . . . . 0.558 HG23 ' HB3' ' A' ' 656' ' ' PRO . 86.5 t -109.13 126.88 66.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.16 0.505 . . . . 0.0 111.026 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.412 HD21 ' HA ' ' A' ' 626' ' ' SER . 55.5 tp -112.45 125.36 54.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.498 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 60.7 t -116.68 117.19 54.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.311 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 620' ' ' SER . . . . . 0.653 ' HB2' ' HB3' ' A' ' 662' ' ' ALA . 33.1 t -165.92 141.48 4.9 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.49 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 37.2 mp0 -70.61 -28.29 64.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.631 0.253 . . . . 0.0 111.245 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -80.6 108.01 13.88 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.27 0.557 . . . . 0.0 111.272 -178.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.42 -36.22 82.26 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.192 -0.913 . . . . 0.0 113.255 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -59.68 -46.91 87.63 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -178.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 625' ' ' THR . . . . . 0.423 ' O ' HG12 ' A' ' 629' ' ' ILE . 92.4 m -67.45 -41.41 84.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.295 0.569 . . . . 0.0 110.013 178.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 626' ' ' SER . . . . . 0.412 ' HA ' HD21 ' A' ' 618' ' ' LEU . 68.3 m -62.09 -41.0 97.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.208 -0.906 . . . . 0.0 112.077 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 88.5 m -62.47 -43.81 97.91 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 120.748 0.309 . . . . 0.0 110.993 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 64.0 tp -63.87 -44.98 91.45 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.693 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 629' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 625' ' ' THR . 41.8 mm -63.1 -44.11 99.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.15 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 98.7 m -61.9 -44.41 96.85 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.252 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 65.0 m -66.96 -39.98 87.36 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 -178.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 20.3 tt -69.16 -43.15 81.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 633' ' ' LEU . . . . . 0.405 ' HB2' HG21 ' A' ' 640' ' ' VAL . 85.7 mt -70.54 -36.84 73.92 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 634' ' ' THR . . . . . 0.829 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 0.7 OUTLIER -62.87 -44.57 95.77 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -179.376 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 635' ' ' THR . . . . . 0.639 HG21 ' H ' ' B' ' 5' ' ' ARG . 26.3 p -67.36 -16.38 64.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.7 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -89.89 1.27 56.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.137 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 102.53 -0.61 49.57 Favored Glycine 0 C--N 1.335 0.512 0 C-N-CA 120.946 -0.645 . . . . 0.0 113.825 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 638' ' ' TYR . . . . . 0.829 ' O ' ' HA ' ' A' ' 634' ' ' THR . 96.7 m-85 -100.51 158.22 16.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.023 0.412 . . . . 0.0 111.036 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -113.63 122.15 46.32 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 640' ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' A' ' 616' ' ' ILE . 47.0 t -107.45 130.1 60.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.201 0.524 . . . . 0.0 112.146 -179.339 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 641' ' ' ILE . . . . . 0.552 HG21 HD13 ' A' ' 654' ' ' LEU . 84.2 mt -116.26 123.57 71.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 115.532 -0.758 . . . . 0.0 108.995 178.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 642' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -95.55 117.61 30.74 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.012 0.434 . . . . 0.0 110.437 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 643' ' ' LEU . . . . . 0.461 HD23 ' HB ' ' B' ' 44' ' ' VAL . 90.2 mt -117.1 144.62 44.48 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.101 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 16.6 m -75.26 152.65 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -78.95 168.25 19.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.373 0.606 . . . . 0.0 112.531 -177.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 91.51 -11.29 72.55 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.173 -0.922 . . . . 0.0 113.047 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -115.18 92.7 4.01 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 73.5 t -68.79 -38.93 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 49.4 mp0 -58.29 -38.45 77.03 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.606 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 650' ' ' ARG . . . . . 0.448 ' NH1' ' HA ' ' B' ' 22' ' ' VAL . 38.4 mmt180 -63.91 -37.86 88.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.746 0.308 . . . . 0.0 110.189 178.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.72 -42.24 91.29 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 178.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.56 ' HA ' HG23 ' A' ' 655' ' ' THR . 92.2 mt -66.05 -38.87 89.46 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.804 178.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -58.67 -39.65 81.25 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.364 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 654' ' ' LEU . . . . . 0.802 HD11 HD12 ' B' ' 25' ' ' LEU . 86.7 mt -109.7 29.75 7.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.304 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 655' ' ' THR . . . . . 0.56 HG23 ' HA ' ' A' ' 652' ' ' LEU . 0.7 OUTLIER -35.47 103.56 0.24 Allowed Pre-proline 0 N--CA 1.479 1.002 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -178.846 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 656' ' ' PRO . . . . . 0.558 ' HB3' HG23 ' A' ' 617' ' ' VAL . 37.6 Cg_endo -88.06 -175.45 1.38 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.837 3.025 . . . . 0.0 112.99 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.631 HD12 HD11 ' A' ' 721' ' ' LEU . 44.8 pt -82.45 -25.74 8.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.395 0.616 . . . . 0.0 109.622 177.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -152.28 146.93 25.78 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.265 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.732 HG23 HD11 ' A' ' 686' ' ' LEU . 71.3 t -114.34 126.03 71.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.522 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.636 HD23 ' HB2' ' A' ' 689' ' ' PHE . 85.2 mt -105.46 120.51 41.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.534 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 86.7 mt -111.09 118.98 37.49 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 662' ' ' ALA . . . . . 0.653 ' HB3' ' HB2' ' A' ' 620' ' ' SER . . . -108.49 121.75 45.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.193 0.52 . . . . 0.0 111.566 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -76.43 158.93 80.79 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.029 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 664' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -89.74 161.1 35.91 Favored 'Cis proline' 0 C--N 1.351 0.706 0 C-N-CA 124.242 -1.149 . . . . 0.0 113.603 -0.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 665' ' ' PHE . . . . . 0.414 ' CD1' HG22 ' A' ' 670' ' ' VAL . 84.4 m-85 -112.45 119.23 37.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.914 178.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 78.5 p -99.82 -17.25 17.75 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -107.1 7.38 29.61 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -169.88 167.32 40.43 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.029 -1.081 . . . . 0.0 112.833 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -96.17 133.18 40.79 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.666 -0.124 . . . . 0.0 110.666 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 670' ' ' VAL . . . . . 0.414 HG22 ' CD1' ' A' ' 665' ' ' PHE . 79.2 t -59.63 -46.44 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.291 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -63.83 -38.5 91.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.01 -47.57 85.3 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.498 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 82.7 mt -63.69 -41.24 98.17 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.273 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 71.6 t -62.5 -47.4 93.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-O 120.965 0.412 . . . . 0.0 110.337 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -62.4 -44.06 97.34 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.594 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -63.32 -40.98 98.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.243 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.71 -39.51 93.77 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-O 120.658 0.266 . . . . 0.0 110.642 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -63.35 -38.62 91.86 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.33 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -67.22 -38.28 85.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.197 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -88.78 -36.1 16.28 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -177.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 75.6 m -122.42 140.12 53.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.746 0.308 . . . . 0.0 111.439 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 73.0 p -71.58 150.79 93.67 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -64.21 -27.69 64.43 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.583 2.188 . . . . 0.0 113.131 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 684' ' ' GLU . . . . . 0.411 ' O ' HD13 ' A' ' 724' ' ' LEU . 24.5 pt-20 -76.35 -24.46 54.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.582 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -95.55 -35.9 11.48 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 686' ' ' LEU . . . . . 0.732 HD11 HG23 ' A' ' 659' ' ' VAL . 69.7 tp -126.17 130.2 50.53 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.245 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -103.94 146.25 28.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 688' ' ' ILE . . . . . . . . . . . . . 81.7 mt -120.09 128.5 75.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.092 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 689' ' ' PHE . . . . . 0.636 ' HB2' HD23 ' A' ' 660' ' ' LEU . 95.9 m-85 -125.24 143.03 51.15 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 86.6 mt -120.02 128.92 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.048 0.451 . . . . 0.0 112.215 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 691' ' ' LEU . . . . . 0.487 HD11 ' HE1' ' A' ' 713' ' ' PHE . 4.3 mp -104.64 126.87 52.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.047 178.368 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 692' ' ' GLY . . . . . 0.561 ' O ' ' HA ' ' A' ' 705' ' ' PRO . . . 147.02 -123.09 1.7 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 119.799 -1.191 . . . . 0.0 113.116 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 63.5 m -119.15 151.38 38.42 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.527 -0.175 . . . . 0.0 110.527 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 64.43 -98.76 0.06 Allowed 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.564 0.54 . . . . 0.0 110.914 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . 82.69 6.56 88.39 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.891 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -82.18 69.34 8.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.023 0.439 . . . . 0.0 110.719 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -125.61 152.94 44.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.601 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -71.72 147.23 47.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.557 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 86.45 3.49 84.2 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.681 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 59.6 t -109.59 120.26 60.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -66.21 -44.99 82.3 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.974 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -158.85 148.7 19.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.67 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -112.93 147.81 36.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.009 0.433 . . . . 0.0 110.874 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 704' ' ' ILE . . . . . 0.485 ' HB ' ' HG ' ' A' ' 691' ' ' LEU . 4.7 mp -118.03 103.07 50.44 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.058 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 705' ' ' PRO . . . . . 0.561 ' HA ' ' O ' ' A' ' 692' ' ' GLY . 70.4 Cg_endo -72.81 147.48 44.54 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.563 2.175 . . . . 0.0 113.476 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 706' ' ' LEU . . . . . 0.4 HD13 ' HA2' ' A' ' 692' ' ' GLY . 8.4 mp -100.24 151.96 37.68 Favored Pre-proline 0 N--CA 1.464 0.271 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.642 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 707' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -71.49 152.44 96.14 Favored 'Cis proline' 0 C--N 1.352 0.72 0 C-N-CA 123.783 -1.34 . . . . 0.0 112.482 -0.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 708' ' ' ILE . . . . . . . . . . . . . 33.3 pt -107.68 156.02 8.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.366 0.603 . . . . 0.0 111.746 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -110.9 147.87 37.42 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -52.74 -50.99 12.15 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.397 2.065 . . . . 0.0 113.232 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 51.1 mp0 -66.05 -39.72 90.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.408 179.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 68.3 m -63.18 -47.73 81.38 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.668 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 713' ' ' PHE . . . . . 0.487 ' HE1' HD11 ' A' ' 691' ' ' LEU . 84.2 t80 -60.19 -49.36 77.92 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.445 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 62.2 tp -61.44 -43.24 99.21 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -63.58 -41.78 98.35 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.246 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -64.87 -41.63 95.49 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.739 -0.209 . . . . 0.0 110.924 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 717' ' ' VAL . . . . . . . . . . . . . 65.8 t -65.09 -45.27 94.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.566 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 89.3 m -60.72 -46.88 88.72 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.337 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.28 -39.0 93.03 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.976 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -65.89 -21.99 69.94 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.612 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 721' ' ' LEU . . . . . 0.631 HD11 HD12 ' A' ' 657' ' ' ILE . 0.4 OUTLIER -72.01 -15.92 62.05 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 179.586 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.89 75.8 2.81 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.114 0.483 . . . . 0.0 109.964 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 87.7 p -155.25 170.8 21.02 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.155 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 724' ' ' LEU . . . . . 0.46 ' HG ' ' N ' ' A' ' 725' ' ' ALA . 54.1 tp 63.65 -110.7 0.3 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.55 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 725' ' ' ALA . . . . . 0.46 ' N ' ' HG ' ' A' ' 724' ' ' LEU . . . -102.35 -8.39 21.23 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 51.02 42.99 29.14 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.825 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 59.6 m -126.86 144.29 51.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.797 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -63.23 -40.51 97.66 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.688 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.098 -0.953 . . . . 0.0 110.602 179.893 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 78.3 mtm . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.935 0.398 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ALA . . . . . 0.54 ' HB3' ' HD3' ' B' ' 3' ' ' PRO . . . -61.83 -50.42 81.55 Favored Pre-proline 0 CA--C 1.539 0.556 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.758 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.54 ' HD3' ' HB3' ' B' ' 2' ' ' ALA . 49.8 Cg_exo -60.07 139.07 85.72 Favored 'Trans proline' 0 C--N 1.363 1.298 0 C-N-CA 122.072 1.848 . . . . 0.0 112.717 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.586 ' HG ' ' N ' ' B' ' 5' ' ' ARG . 0.1 OUTLIER -147.34 154.42 40.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.01 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.639 ' H ' HG21 ' A' ' 635' ' ' THR . 2.2 mtp180 70.47 15.44 7.23 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.73 0.812 . . . . 0.0 112.109 -178.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -108.2 89.37 2.97 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.826 HG21 ' OG1' ' A' ' 634' ' ' THR . 30.6 p -131.28 159.9 36.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.37 -178.189 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.57 144.1 26.95 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 66.7 t -117.4 125.67 74.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -178.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 6.4 mp -106.94 130.53 54.58 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.208 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.556 ' HB2' ' HB3' ' B' ' 66' ' ' ALA . 56.7 mtmt -107.52 134.9 49.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.017 0.437 . . . . 0.0 111.299 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.416 ' CD1' HD11 ' B' ' 42' ' ' LEU . 69.1 mt -119.05 118.63 31.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.47 178.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' TYR . . . . . 0.462 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 71.8 m-85 -98.98 117.54 33.72 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 177.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.499 HG12 ' HB3' ' B' ' 63' ' ' PRO . 17.7 m -139.05 173.57 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.171 -177.147 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.14 127.08 53.77 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.89 69.11 2.71 Favored Glycine 0 CA--C 1.515 0.091 0 C-N-CA 120.798 -0.715 . . . . 0.0 113.451 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -167.68 -50.65 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.595 ' HB ' ' OD1' ' B' ' 20' ' ' ASN . 0.6 OUTLIER -73.22 130.06 85.12 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.606 -178.55 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -55.0 -38.48 93.34 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.121 2.548 . . . . 0.0 113.208 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ASN . . . . . 0.595 ' OD1' ' HB ' ' B' ' 18' ' ' THR . 23.3 p-10 -68.05 -24.39 65.07 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.742 0.306 . . . . 0.0 110.735 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 52.7 m -88.07 -39.48 14.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.18 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.448 ' HA ' ' NH1' ' A' ' 650' ' ' ARG . 68.7 t -65.76 -47.24 86.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.319 179.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -73.1 -19.71 61.09 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.135 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.13 81.76 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.066 0.46 . . . . 0.0 110.742 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.839 HD11 HG21 ' B' ' 44' ' ' VAL . 0.8 OUTLIER -61.52 -41.33 97.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.833 178.263 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -63.83 -40.72 97.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.096 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 72.6 p -71.13 -38.28 72.27 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.625 0.25 . . . . 0.0 111.435 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -68.09 -47.17 68.96 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.972 0.415 . . . . 0.0 110.928 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.56 -39.93 95.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.372 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -59.83 -45.31 92.79 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -178.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.643 HD11 ' HG3' ' B' ' 83' ' ' ARG . 96.3 mt -68.8 -44.28 82.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.884 0.373 . . . . 0.0 111.527 -179.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.561 HD21 HD22 ' B' ' 90' ' ' LEU . 81.9 mt -70.77 -37.36 73.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.292 -178.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.53 ' O ' ' HB3' ' B' ' 37' ' ' LYS . 14.3 tm-20 -62.36 -37.38 85.47 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.667 0.618 . . . . 0.0 112.667 -178.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -96.76 -58.02 2.15 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -70.22 -40.77 74.33 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 -176.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -128.9 52.47 1.94 Allowed 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.309 -0.556 . . . . 0.0 112.468 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.53 ' HB3' ' O ' ' B' ' 33' ' ' GLU . 11.8 ptmm? -79.62 139.86 37.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.025 0.44 . . . . 0.0 111.686 -179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.17 -0.21 89.0 Favored Glycine 0 C--N 1.332 0.31 0 CA-C-N 115.866 -0.607 . . . . 0.0 113.228 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 27.5 t -109.04 -41.58 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.917 0.389 . . . . 0.0 111.255 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -117.96 129.79 55.82 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -178.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.1 145.72 26.27 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 176.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.416 HD11 ' CD1' ' B' ' 12' ' ' LEU . 54.0 tp -113.22 131.86 55.73 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -177.102 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -119.56 130.87 55.37 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.839 HG21 HD11 ' B' ' 25' ' ' LEU . 62.0 t -124.82 130.41 73.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 -178.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.2 mp -119.17 128.75 75.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.059 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -92.39 109.92 21.32 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.663 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 26.7 m -65.93 -20.43 27.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -178.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 99.1 mt -82.33 -14.98 54.45 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.609 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.06 -38.41 9.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.653 0.263 . . . . 0.0 111.049 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.737 ' OD1' ' HG ' ' B' ' 53' ' ' LEU . 8.7 t-20 -135.89 80.47 42.6 Favored Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.72 -35.43 97.7 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.762 2.975 . . . . 0.0 114.531 -178.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 17.0 pm0 -64.07 -24.48 67.72 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.737 ' HG ' ' OD1' ' B' ' 50' ' ' ASN . 86.6 mt -64.65 -40.88 96.22 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.208 178.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.89 -40.43 96.5 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.666 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.49 -37.59 88.07 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.192 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.54 -38.28 89.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.901 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -92.46 7.34 43.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.236 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 64.5 mttp 56.35 40.11 29.89 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 88.1 mt -110.7 118.11 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.331 . . . . 0.0 110.571 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 89.5 mt -112.59 9.57 19.43 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -138.36 150.95 47.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.602 0.239 . . . . 0.0 111.291 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 72.1 p -144.86 153.84 54.5 Favored Pre-proline 0 N--CA 1.465 0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.463 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' PRO . . . . . 0.69 ' HB2' HD12 ' B' ' 80' ' ' LEU . 11.1 Cg_exo -74.95 142.87 76.06 Favored 'Cis proline' 0 C--N 1.35 0.651 0 C-N-CA 124.369 -1.096 . . . . 0.0 112.949 -1.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 93.7 m -128.37 130.77 48.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.801 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 63.1 tp -101.98 121.81 42.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.663 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ALA . . . . . 0.556 ' HB3' ' HB2' ' B' ' 11' ' ' LYS . . . -112.57 131.29 55.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.062 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -95.26 118.32 31.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.233 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.492 HG12 ' HG ' ' B' ' 69' ' ' LEU . 61.6 t -90.71 -53.09 9.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.989 0.423 . . . . 0.0 111.04 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.492 ' HG ' HG12 ' B' ' 68' ' ' VAL . 71.6 mt -132.12 147.08 64.36 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.363 -179.286 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -81.37 148.28 72.72 Favored 'Cis proline' 0 C--N 1.349 0.592 0 C-N-CA 123.721 -1.366 . . . . 0.0 112.114 -1.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' PRO . . . . . 0.512 ' HA ' ' C ' ' B' ' 72' ' ' PRO . 72.6 Cg_endo -73.8 163.06 38.05 Favored 'Trans proline' 0 CA--C 1.534 0.495 0 C-N-CA 122.538 2.159 . . . . 0.0 112.137 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' B' ' 71' ' ' PRO . 31.5 Cg_exo -62.04 149.81 59.22 Favored 'Cis proline' 0 C--N 1.354 0.865 0 C-N-CA 124.832 -0.903 . . . . 0.0 113.679 0.195 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 27.2 m -70.12 150.9 9.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.268 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -132.86 152.91 51.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.351 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 -117.52 127.34 53.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.099 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 81.9 mt -118.87 119.43 60.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.919 0.39 . . . . 0.0 110.633 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 82.5 mt -120.92 125.89 74.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.947 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 174.39 -167.62 40.04 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.388 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -84.82 103.96 14.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.73 0.3 . . . . 0.0 110.587 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.69 HD12 ' HB2' ' B' ' 63' ' ' PRO . 96.6 mt -85.97 -7.33 58.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.547 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 73.9 m -66.11 -31.71 72.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.063 0.459 . . . . 0.0 110.264 178.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -82.48 111.46 18.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.133 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' ARG . . . . . 0.643 ' HG3' HD11 ' B' ' 31' ' ' ILE . 44.6 ttm180 -60.38 -36.82 78.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.577 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -53.37 -55.23 26.68 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -63.94 -39.25 93.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.174 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 74.6 t -62.28 -44.99 99.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.856 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.26 -42.04 99.11 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 85.2 mt -61.44 -47.51 93.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.351 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.07 -44.03 96.93 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.696 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.561 HD22 HD21 ' B' ' 32' ' ' LEU . 76.3 mt -67.03 -38.33 85.71 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.102 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -61.07 -41.87 97.44 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 110.467 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.93 -39.96 96.18 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.283 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.95 -38.68 91.97 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.602 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.11 -42.24 98.16 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.713 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.6 -39.71 94.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.666 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.79 -41.43 95.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.791 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 18.3 tt -75.81 -32.88 24.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.015 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -63.73 -38.13 95.73 Favored Glycine 0 C--N 1.336 0.552 0 C-N-CA 121.268 -0.491 . . . . 0.0 112.777 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -85.89 73.05 10.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.039 0.447 . . . . 0.0 110.624 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -134.32 129.24 35.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.497 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -124.07 146.03 48.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.591 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -89.6 109.08 20.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.197 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 32.0 t0 57.7 51.25 9.62 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 123.638 0.586 . . . . 0.0 111.944 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -63.32 -40.28 96.87 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.814 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 31.8 t70 71.39 -61.91 0.47 Allowed 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 115.714 -0.676 . . . . 0.0 112.086 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 63.5 mttp . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.344 -0.836 . . . . 0.0 111.027 -179.573 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 613' ' ' GLU . . . . . 0.583 ' HA ' ' OE2' ' B' ' 33' ' ' GLU . 45.7 mt-10 . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 121.084 0.469 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . -83.23 68.17 3.61 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.958 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 39.4 ptt180 -97.65 143.43 28.32 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.146 0.498 . . . . 0.0 110.832 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.574 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 95.0 mt -129.41 133.95 64.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.168 -178.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 99.1 t -107.53 124.92 63.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.088 0.47 . . . . 0.0 110.054 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 59.8 tp -105.85 125.17 50.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.839 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 619' ' ' VAL . . . . . 0.403 ' HB ' HD23 ' A' ' 661' ' ' LEU . 62.0 t -114.67 117.7 56.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.012 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 620' ' ' SER . . . . . 0.576 ' HB3' ' HB3' ' A' ' 662' ' ' ALA . 90.5 p -160.52 162.61 33.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.414 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -99.37 -11.97 20.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.815 0.34 . . . . 0.0 110.911 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -98.39 110.82 23.34 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.943 0.401 . . . . 0.0 111.283 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.5 -37.92 89.16 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -60.36 -44.79 95.25 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 625' ' ' THR . . . . . 0.423 ' O ' HG12 ' A' ' 629' ' ' ILE . 93.9 m -65.68 -42.09 91.66 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.068 0.461 . . . . 0.0 110.158 178.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 46.9 t -61.03 -42.53 98.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.712 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 89.5 m -59.89 -44.95 93.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.531 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 63.5 tp -65.3 -46.36 80.66 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.962 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 629' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 625' ' ' THR . 40.4 mm -62.43 -45.52 98.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.709 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 96.8 m -61.91 -42.48 99.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.746 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 70.8 m -64.14 -41.52 97.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.383 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.07 -50.68 79.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-O 120.869 0.366 . . . . 0.0 111.646 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 633' ' ' LEU . . . . . 0.664 HD21 HG11 ' A' ' 717' ' ' VAL . 83.9 mt -73.29 -40.34 64.61 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 634' ' ' THR . . . . . 0.732 ' HB ' HG21 ' B' ' 7' ' ' THR . 87.1 m -65.21 -41.42 94.51 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -178.213 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 635' ' ' THR . . . . . . . . . . . . . 31.6 m -61.83 -38.09 86.87 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 121.141 0.496 . . . . 0.0 110.206 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -70.11 -8.28 48.33 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.287 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 107.87 9.98 27.36 Favored Glycine 0 C--N 1.333 0.4 0 C-N-CA 120.467 -0.873 . . . . 0.0 114.001 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 638' ' ' TYR . . . . . 0.648 ' O ' ' HA ' ' A' ' 634' ' ' THR . 96.9 m-85 -99.42 151.58 20.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 117.226 0.513 . . . . 0.0 110.656 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -101.82 108.15 19.56 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 640' ' ' VAL . . . . . 0.574 ' HA ' ' O ' ' A' ' 616' ' ' ILE . 59.1 t -107.36 128.7 62.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -178.55 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 641' ' ' ILE . . . . . 0.472 HG21 HD13 ' A' ' 654' ' ' LEU . 85.5 mt -118.32 124.7 73.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.139 -0.937 . . . . 0.0 108.578 177.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 642' ' ' TRP . . . . . . . . . . . . . 76.2 t90 -92.49 122.61 35.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.809 0.338 . . . . 0.0 110.58 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 643' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 643' ' ' LEU . 0.4 OUTLIER -118.09 144.6 45.49 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.507 179.862 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 13.0 m -75.52 152.53 6.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -75.6 161.92 28.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.29 0.566 . . . . 0.0 112.474 -177.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 91.0 -8.31 79.97 Favored Glycine 0 C--N 1.334 0.459 0 CA-C-N 115.327 -0.851 . . . . 0.0 113.666 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -114.24 91.09 3.51 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 72.0 t -70.36 -39.86 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.141 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 49.3 mp0 -58.91 -38.45 78.93 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.591 0.234 . . . . 0.0 110.555 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 650' ' ' ARG . . . . . 0.487 HH11 HD12 ' B' ' 25' ' ' LEU . 5.2 mmp_? -64.24 -38.23 90.31 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 178.193 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -67.74 -40.72 84.11 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.092 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.67 ' HA ' HG23 ' A' ' 655' ' ' THR . 67.8 tp -63.9 -42.61 97.39 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.772 179.134 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -59.3 -38.63 80.7 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.674 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 654' ' ' LEU . . . . . 0.472 HD13 HG21 ' A' ' 641' ' ' ILE . 92.5 mt -108.79 29.43 7.46 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.116 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 655' ' ' THR . . . . . 0.67 HG23 ' HA ' ' A' ' 652' ' ' LEU . 0.8 OUTLIER -43.41 105.18 0.41 Allowed Pre-proline 0 N--CA 1.477 0.886 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 -178.906 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 656' ' ' PRO . . . . . 0.463 ' HD2' HD11 ' A' ' 686' ' ' LEU . 43.2 Cg_endo -87.76 -169.77 0.5 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 123.747 2.964 . . . . 0.0 112.479 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 49.2 pt -80.22 -26.22 11.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.332 0.587 . . . . 0.0 109.786 177.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -158.09 154.33 27.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.927 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.401 HG13 HD21 ' A' ' 686' ' ' LEU . 30.2 m -121.7 148.19 25.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.869 0.366 . . . . 0.0 111.093 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.671 HD23 ' HB2' ' A' ' 689' ' ' PHE . 83.9 mt -118.59 124.76 48.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.533 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 661' ' ' LEU . . . . . 0.717 ' HB2' HG22 ' A' ' 690' ' ' ILE . 82.7 mt -108.97 119.92 40.99 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.28 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 662' ' ' ALA . . . . . 0.576 ' HB3' ' HB3' ' A' ' 620' ' ' SER . . . -118.22 152.8 34.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.334 0.588 . . . . 0.0 112.27 -178.664 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -73.47 155.36 89.56 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.179 -0.918 . . . . 0.0 110.966 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 664' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -89.98 146.64 19.61 Favored 'Cis proline' 0 C--N 1.347 0.499 0 C-N-CA 123.957 -1.268 . . . . 0.0 113.25 -1.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -116.71 79.23 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.866 0.365 . . . . 0.0 110.217 178.02 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 78.8 p -98.78 -20.03 17.12 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -102.24 1.73 36.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.69 0.281 . . . . 0.0 111.687 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -148.81 145.03 12.94 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.392 -0.909 . . . . 0.0 112.533 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -96.01 120.97 37.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.502 0.191 . . . . 0.0 110.596 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 59.6 t -59.71 -45.08 94.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.87 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -62.51 -39.97 95.24 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.68 0.276 . . . . 0.0 111.221 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -63.32 -41.7 98.94 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.793 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.24 -41.64 99.12 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.981 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 674' ' ' VAL . . . . . 0.656 HG11 ' HA3' ' A' ' 699' ' ' GLY . 71.7 t -61.75 -44.96 99.55 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.902 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -59.8 -44.72 93.84 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.867 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -69.81 -40.84 75.69 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 87.2 mt -65.55 -39.76 92.07 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -67.59 -16.54 64.23 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -87.39 -10.48 51.94 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.703 0.287 . . . . 0.0 110.83 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -104.85 -39.09 6.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.939 0.4 . . . . 0.0 110.953 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 72.2 m -127.27 148.72 50.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.606 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 48.2 p -73.8 158.33 86.18 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.438 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -54.77 -38.8 91.76 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.653 2.235 . . . . 0.0 113.513 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -77.12 -27.1 53.86 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.046 -0.261 . . . . 0.0 111.291 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -72.23 -38.3 68.99 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.888 0.375 . . . . 0.0 111.487 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 686' ' ' LEU . . . . . 0.463 HD11 ' HD2' ' A' ' 656' ' ' PRO . 4.1 tt -146.79 132.28 18.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.385 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -112.65 148.5 34.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.726 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 688' ' ' ILE . . . . . 0.591 HG21 HG22 ' A' ' 674' ' ' VAL . 26.2 mm -102.2 123.8 55.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.536 -179.268 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 689' ' ' PHE . . . . . 0.671 ' HB2' HD23 ' A' ' 660' ' ' LEU . 94.3 m-85 -125.24 140.77 52.55 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 179.127 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 690' ' ' ILE . . . . . 0.717 HG22 ' HB2' ' A' ' 661' ' ' LEU . 46.0 pt -127.69 145.0 35.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.189 0.519 . . . . 0.0 111.872 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 691' ' ' LEU . . . . . 0.563 HD11 ' HE1' ' A' ' 713' ' ' PHE . 5.6 mp -99.0 119.52 37.92 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 93.63 163.35 36.49 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.712 -0.756 . . . . 0.0 111.728 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 54.0 m -130.74 130.71 44.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 117.152 0.476 . . . . 0.0 111.508 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 31.8 mmtm -121.59 -7.02 9.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.791 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . 163.82 -166.57 37.51 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.657 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -87.02 104.51 16.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.843 0.354 . . . . 0.0 110.333 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 13.5 m-30 -106.21 131.74 53.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.759 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -91.72 148.96 21.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.645 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 699' ' ' GLY . . . . . 0.656 ' HA3' HG11 ' A' ' 674' ' ' VAL . . . 91.55 -5.01 80.16 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 120.646 -0.787 . . . . 0.0 113.058 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 700' ' ' VAL . . . . . 0.552 HG11 HG12 ' A' ' 690' ' ' ILE . 62.1 t -93.57 118.38 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -66.97 -43.0 84.18 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.917 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -156.92 148.5 22.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.814 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -120.23 149.46 42.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.793 0.33 . . . . 0.0 110.505 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 5.9 mm -104.01 109.73 62.86 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -60.17 142.96 99.46 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 123.013 2.475 . . . . 0.0 113.063 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 706' ' ' LEU . . . . . 0.819 HD23 HG23 ' A' ' 708' ' ' ILE . 95.7 mt -106.93 150.19 39.47 Favored Pre-proline 0 C--O 1.233 0.186 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.524 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 707' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -74.81 158.1 99.15 Favored 'Cis proline' 0 C--N 1.351 0.703 0 C-N-CA 123.891 -1.295 . . . . 0.0 112.74 -0.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 708' ' ' ILE . . . . . 0.819 HG23 HD23 ' A' ' 706' ' ' LEU . 43.6 pt -107.4 156.94 7.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.431 0.634 . . . . 0.0 111.706 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -118.29 151.88 49.97 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -51.5 -51.37 11.34 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.204 1.936 . . . . 0.0 113.248 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 52.4 mp0 -68.11 -39.72 82.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.358 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 67.8 m -62.67 -47.58 83.05 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.454 -178.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 713' ' ' PHE . . . . . 0.563 ' HE1' HD11 ' A' ' 691' ' ' LEU . 85.7 t80 -60.28 -49.02 79.25 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.868 178.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 62.7 tp -61.28 -46.42 90.42 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.117 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -65.47 -41.28 93.52 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.478 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 12.0 tp-100 -66.88 -42.78 85.02 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.471 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 717' ' ' VAL . . . . . 0.664 HG11 HD21 ' A' ' 633' ' ' LEU . 6.2 p -70.87 -33.72 53.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 97.9 m -60.58 -45.4 94.09 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.611 0.244 . . . . 0.0 110.962 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 63.2 mtt -61.28 -41.08 96.34 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.301 178.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -64.56 -40.93 98.01 Favored Glycine 0 CA--C 1.52 0.383 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.69 178.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 98.1 mt -65.74 -39.24 90.9 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 70.8 p -67.35 -20.68 65.61 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.651 0.262 . . . . 0.0 111.689 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 74.3 m -64.57 -39.47 93.8 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 120.956 0.407 . . . . 0.0 110.225 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 724' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.31 -46.96 84.26 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.022 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -157.11 149.12 22.69 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.65 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 11.1 t -149.24 154.98 39.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.769 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 63.3 m -71.07 146.2 49.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.914 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -147.05 153.11 39.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.705 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.092 -0.956 . . . . 0.0 110.722 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.1 mtt . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.954 0.407 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.95 121.05 73.04 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -76.95 63.65 7.62 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.89 2.393 . . . . 0.0 112.943 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.3 mp -110.01 173.41 6.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.655 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? 65.44 31.78 10.03 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.667 0.604 . . . . 0.0 111.385 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.42 89.43 3.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.406 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.732 HG21 ' HB ' ' A' ' 634' ' ' THR . 44.5 p -129.37 159.22 36.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.762 0.315 . . . . 0.0 110.895 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.423 ' HB1' ' O ' ' B' ' 69' ' ' LEU . . . -97.28 147.8 23.78 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 178.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.757 HG11 ' HE2' ' B' ' 43' ' ' LYS . 62.2 t -122.71 128.24 75.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -177.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 81.3 mt -109.33 141.22 41.98 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.896 178.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.692 ' HB2' ' HB3' ' B' ' 66' ' ' ALA . 59.5 mttp -107.97 136.98 46.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.909 0.385 . . . . 0.0 111.033 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.622 HD22 HD22 ' B' ' 28' ' ' LEU . 62.7 tp -128.58 122.65 31.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.263 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' TYR . . . . . 0.471 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 96.4 m-85 -101.91 123.08 45.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.777 178.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.645 HG12 ' HB3' ' B' ' 63' ' ' PRO . 21.9 m -139.84 173.17 11.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-O 121.094 0.474 . . . . 0.0 111.597 -178.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -123.75 126.06 45.84 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.492 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.89 70.94 2.82 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.693 -0.765 . . . . 0.0 113.083 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -145.8 -74.96 0.22 Allowed 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.457 ' O ' HG23 ' B' ' 22' ' ' VAL . 80.7 p -74.05 148.79 87.01 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.806 -0.179 . . . . 0.0 111.296 -178.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.484 ' HA ' ' HB ' ' B' ' 22' ' ' VAL . 28.4 Cg_endo -62.01 -26.83 78.86 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.485 2.123 . . . . 0.0 112.155 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -62.4 -38.35 89.32 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.157 0.503 . . . . 0.0 109.84 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 61.6 m -86.5 -37.28 18.39 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.392 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.484 ' HB ' ' HA ' ' B' ' 19' ' ' PRO . 53.0 t -63.57 -49.07 84.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.905 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -73.8 -17.86 61.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.22 -0.446 . . . . 0.0 112.185 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.22 -41.38 88.54 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 121.346 -0.142 . . . . 0.0 110.699 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.487 HD12 HH11 ' A' ' 650' ' ' ARG . 77.4 mt -63.24 -41.66 99.11 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 120.846 0.355 . . . . 0.0 110.716 178.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.27 -41.42 96.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.557 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 89.1 m -65.53 -46.76 78.33 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.382 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.622 HD22 HD22 ' B' ' 12' ' ' LEU . 2.9 mp -68.67 -38.54 80.47 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.667 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.92 -42.06 97.35 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.745 -0.207 . . . . 0.0 111.146 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -62.01 -45.49 93.37 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.016 0.436 . . . . 0.0 110.846 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.737 HD11 ' HG3' ' B' ' 83' ' ' ARG . 91.0 mt -65.89 -45.33 91.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.632 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.658 HD12 ' HB2' ' B' ' 36' ' ' PHE . 61.8 tp -66.64 -41.62 87.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.043 -179.409 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.583 ' OE2' ' HA ' ' A' ' 613' ' ' GLU . 88.8 tt0 -62.36 -39.43 93.11 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.62 -61.57 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.291 0.848 . . . . 0.0 113.291 -178.073 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -66.63 -39.54 88.34 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -177.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' PHE . . . . . 0.658 ' HB2' HD12 ' B' ' 32' ' ' LEU . 91.1 m-85 -117.5 40.6 3.02 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -177.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.509 ' HB2' ' O ' ' B' ' 33' ' ' GLU . 65.4 tttm -64.99 123.92 20.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.892 0.377 . . . . 0.0 111.111 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.58 17.34 79.91 Favored Glycine 0 C--N 1.334 0.443 0 CA-C-N 115.998 -0.546 . . . . 0.0 113.591 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 9.2 t -118.24 -48.19 3.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -179.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' TYR . . . . . 0.479 ' HB2' HD11 ' B' ' 32' ' ' LEU . 83.1 m-85 -125.33 142.64 51.38 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -178.139 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.88 146.43 30.99 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 176.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.434 HD11 ' HB2' ' B' ' 12' ' ' LEU . 62.6 tp -116.48 124.48 50.05 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -177.194 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.757 ' HE2' HG11 ' B' ' 9' ' ' VAL . 68.4 mttm -99.26 131.02 45.58 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 176.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.414 ' HB ' HD22 ' A' ' 643' ' ' LEU . 62.1 t -121.38 127.29 75.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.132 0.491 . . . . 0.0 112.216 -178.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.4 mp -121.87 130.76 74.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.828 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -88.05 107.98 19.01 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.784 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.551 HG21 HG21 ' B' ' 62' ' ' THR . 35.9 m -85.19 -7.3 10.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.24 -50.88 62.24 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 111.59 0.219 . . . . 0.0 111.59 -179.553 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -71.15 -38.32 72.22 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.524 ' OD1' ' HG2' ' B' ' 52' ' ' GLN . 61.7 t30 -129.53 90.27 44.55 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -66.25 -21.29 55.03 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.162 2.575 . . . . 0.0 114.727 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.524 ' HG2' ' OD1' ' B' ' 50' ' ' ASN . 25.3 pt20 -66.55 -21.55 66.15 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.469 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.77 -40.83 97.64 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.831 0.348 . . . . 0.0 110.413 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.24 -40.51 96.18 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.753 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -62.86 -36.42 83.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.107 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.98 -38.18 90.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.419 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -100.56 18.68 18.55 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm 56.36 45.61 22.51 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 51.0 mm -104.77 118.67 52.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.129 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 89.9 mt -104.21 -10.16 18.11 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -150.65 151.81 33.05 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' THR . . . . . 0.551 HG21 HG21 ' B' ' 47' ' ' VAL . 76.2 p -133.03 154.21 81.25 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.183 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 63' ' ' PRO . . . . . 0.645 ' HB3' HG12 ' B' ' 14' ' ' VAL . 60.1 Cg_endo -71.31 150.8 94.29 Favored 'Cis proline' 0 C--N 1.353 0.766 0 C-N-CA 123.931 -1.279 . . . . 0.0 113.151 -0.296 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.06 134.74 40.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.788 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 72.5 mt -102.44 125.7 49.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.609 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ALA . . . . . 0.692 ' HB3' ' HB2' ' B' ' 11' ' ' LYS . . . -111.92 126.54 55.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.857 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.466 ' HE2' ' O ' ' B' ' 70' ' ' PRO . 87.2 tttt -91.68 122.26 34.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.127 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.413 HG12 ' HG ' ' B' ' 69' ' ' LEU . 22.0 t -108.72 -60.59 2.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.992 0.425 . . . . 0.0 110.298 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.423 ' O ' ' HB1' ' B' ' 8' ' ' ALA . 82.4 mt -134.54 144.38 50.65 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.212 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' PRO . . . . . 0.466 ' O ' ' HE2' ' B' ' 67' ' ' LYS . 13.0 Cg_exo -72.9 154.63 99.49 Favored 'Cis proline' 0 C--N 1.349 0.568 0 C-N-CA 124.154 -1.186 . . . . 0.0 111.945 -2.013 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -73.8 165.54 31.96 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 122.63 2.22 . . . . 0.0 112.027 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -73.31 161.03 94.86 Favored 'Cis proline' 0 C--N 1.355 0.9 0 C-N-CA 124.492 -1.045 . . . . 0.0 114.103 1.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 33.8 m -83.86 151.54 3.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.449 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.415 ' HG2' ' HD3' ' B' ' 67' ' ' LYS . 16.8 ptm180 -157.6 163.19 38.56 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.531 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 89.2 mmt-85 -119.3 136.03 54.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.417 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 80.7 mt -115.35 122.01 68.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.799 0.333 . . . . 0.0 110.522 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 80.1 mt -117.43 124.7 73.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.231 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 177.06 -176.93 48.26 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.348 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -87.79 107.67 18.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.701 0.286 . . . . 0.0 110.274 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.611 HD12 ' HB2' ' B' ' 63' ' ' PRO . 93.2 mt -89.24 2.94 53.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.056 -179.222 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 68.5 m -64.07 -33.13 75.05 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.095 0.474 . . . . 0.0 110.412 178.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -84.19 118.68 24.3 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.347 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' ARG . . . . . 0.737 ' HG3' HD11 ' B' ' 31' ' ' ILE . 62.1 ttp180 -60.11 -35.68 75.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.009 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -58.63 -48.24 81.7 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.52 0.2 . . . . 0.0 111.503 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -63.87 -40.41 96.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.144 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 92.0 t -62.13 -47.09 94.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.51 ' O ' ' HB2' ' B' ' 91' ' ' ARG . 19.9 mt -63.8 -43.31 96.67 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 178.694 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 78.6 mt -61.47 -48.23 89.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.616 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.55 -41.88 68.56 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 11.9 tp -72.34 -35.97 68.71 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -178.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.51 ' HB2' ' O ' ' B' ' 87' ' ' LEU . 9.4 tpt180 -59.03 -27.67 65.69 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.811 0.339 . . . . 0.0 111.702 -178.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 89.2 mt -60.53 -34.54 74.27 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.198 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.768 ' O ' ' HG2' ' B' ' 96' ' ' GLU . 86.0 mt -60.91 -34.87 75.33 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.723 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.54 ' O ' HG22 ' B' ' 97' ' ' ILE . . . -60.73 -37.08 80.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.875 0.369 . . . . 0.0 111.944 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -60.82 -38.99 87.33 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 96' ' ' GLU . . . . . 0.768 ' HG2' ' O ' ' B' ' 93' ' ' LEU . 23.5 pt-20 -63.21 -20.71 65.67 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -177.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.54 HG22 ' O ' ' B' ' 94' ' ' ALA . 7.1 tp -68.59 -23.94 28.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 111.119 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -80.15 -9.83 86.17 Favored Glycine 0 C--N 1.334 0.433 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.682 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -86.71 72.66 10.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.928 0.394 . . . . 0.0 110.549 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -135.41 128.34 31.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.651 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -136.11 131.7 35.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.154 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -86.11 107.83 18.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.542 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -153.57 157.77 40.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.246 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 30.0 t0 56.36 45.54 22.64 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.583 0.552 . . . . 0.0 111.258 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -91.12 102.34 15.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.58 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.779 179.948 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.92 0.391 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 614' ' ' GLY . . . . . 0.437 ' HA3' HD13 ' A' ' 657' ' ' ILE . . . -137.7 152.49 21.69 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.553 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -86.16 137.17 32.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.028 0.442 . . . . 0.0 111.304 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.711 HG21 HD13 ' A' ' 633' ' ' LEU . 23.7 mm -120.19 127.64 75.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.246 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 617' ' ' VAL . . . . . 0.631 HG23 ' HB3' ' A' ' 656' ' ' PRO . 85.4 t -115.28 122.63 69.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.032 0.444 . . . . 0.0 109.873 178.391 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 56.6 tp -110.76 124.59 52.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.615 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 619' ' ' VAL . . . . . 0.4 ' HB ' HD23 ' A' ' 661' ' ' LEU . 57.4 t -109.19 113.99 45.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.105 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 46.4 t -158.1 148.38 20.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.732 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 48.5 mp0 -86.11 -10.82 54.17 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.802 0.334 . . . . 0.0 110.374 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -95.16 108.0 20.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.248 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 50.6 mp0 -63.27 -37.76 88.52 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.304 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -60.86 -42.35 97.7 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 90.0 m -64.0 -44.72 91.77 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.037 0.446 . . . . 0.0 110.388 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 66.2 m -63.53 -40.85 98.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.389 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 88.5 m -63.84 -43.38 96.35 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 63.0 tp -60.78 -49.65 76.63 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.922 0.392 . . . . 0.0 110.871 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 629' ' ' ILE . . . . . 0.594 ' HA ' HD12 ' A' ' 632' ' ' ILE . 73.8 mt -66.42 -33.98 67.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.714 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 28.3 t -49.68 -51.43 38.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.018 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 87.9 p -67.41 -33.19 74.67 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 120.842 0.353 . . . . 0.0 110.761 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 632' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 629' ' ' ILE . 79.9 mt -61.59 -48.69 87.61 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.145 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 633' ' ' LEU . . . . . 0.711 HD13 HG21 ' A' ' 616' ' ' ILE . 25.2 mt -87.71 -38.05 16.16 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 634' ' ' THR . . . . . 0.667 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 87.9 m -62.72 -46.57 87.47 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -177.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 635' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.5 -13.57 61.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.826 0.346 . . . . 0.0 111.508 -179.078 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -83.13 0.02 47.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.139 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 100.56 -1.54 55.74 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.609 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 638' ' ' TYR . . . . . 0.667 ' O ' ' HA ' ' A' ' 634' ' ' THR . 94.8 m-85 -99.73 153.6 18.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.861 0.362 . . . . 0.0 110.681 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -92.78 142.29 27.5 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 94.9 t -124.76 123.99 67.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 641' ' ' ILE . . . . . 0.689 HG21 HD13 ' A' ' 654' ' ' LEU . 85.4 mt -126.25 125.83 68.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.26 177.465 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 642' ' ' TRP . . . . . . . . . . . . . 46.8 t90 -98.98 115.59 29.26 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.97 0.414 . . . . 0.0 110.453 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.95 136.95 45.93 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 6.2 m -75.89 152.1 6.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.997 0.427 . . . . 0.0 109.997 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -64.03 140.12 58.84 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -177.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 104.0 -5.58 46.45 Favored Glycine 0 C--N 1.341 0.809 0 N-CA-C 115.654 1.021 . . . . 0.0 115.654 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -114.5 88.85 2.95 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 118.624 1.212 . . . . 0.0 112.701 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 77.1 t -70.92 -42.86 77.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.19 -38.01 81.98 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.021 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -63.35 -36.47 83.81 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 177.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.98 -41.1 97.64 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 99.7 mt -68.34 -38.2 81.25 Favored 'General case' 0 C--O 1.228 -0.067 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.514 178.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -58.65 -38.25 77.71 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.044 179.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 654' ' ' LEU . . . . . 0.689 HD13 HG21 ' A' ' 641' ' ' ILE . 86.8 mt -108.34 29.4 7.39 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.365 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 655' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -29.8 102.73 0.18 Allowed Pre-proline 0 N--CA 1.479 0.976 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -178.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 656' ' ' PRO . . . . . 0.631 ' HB3' HG23 ' A' ' 617' ' ' VAL . 45.2 Cg_endo -86.59 173.84 6.11 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 123.551 2.834 . . . . 0.0 112.551 179.438 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.437 HD13 ' HA3' ' A' ' 614' ' ' GLY . 46.0 pt -79.48 -21.26 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.54 0.686 . . . . 0.0 109.325 177.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -153.55 146.68 24.63 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.362 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.446 HG23 HD11 ' A' ' 686' ' ' LEU . 64.3 t -114.91 127.05 72.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.359 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.666 HD23 ' HB2' ' A' ' 689' ' ' PHE . 70.8 mt -105.96 118.23 36.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.311 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 661' ' ' LEU . . . . . 0.4 HD23 ' HB ' ' A' ' 619' ' ' VAL . 85.3 mt -112.77 129.09 56.55 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.238 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -111.13 132.09 54.57 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -91.14 154.78 44.96 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.092 178.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 664' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -81.99 170.39 59.71 Favored 'Cis proline' 0 C--N 1.351 0.682 0 C-N-CA 124.49 -1.046 . . . . 0.0 113.14 -0.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -101.09 132.88 46.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.781 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 81.6 p -71.78 -38.98 70.22 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -140.75 -64.88 0.45 Allowed 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -68.34 137.21 30.86 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.324 -179.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 669' ' ' ASP . . . . . 0.467 ' OD2' ' HB2' ' A' ' 671' ' ' GLN . 38.5 t70 -74.27 132.95 42.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.571 0.224 . . . . 0.0 111.296 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 670' ' ' VAL . . . . . 0.418 ' O ' HG23 ' A' ' 674' ' ' VAL . 62.2 t -60.43 -44.41 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.059 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 671' ' ' GLN . . . . . 0.467 ' HB2' ' OD2' ' A' ' 669' ' ' ASP . 97.5 mt-30 -62.85 -38.04 89.21 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.954 0.407 . . . . 0.0 110.211 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.48 -44.12 96.26 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.283 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.98 -40.81 97.24 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.348 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 674' ' ' VAL . . . . . 0.633 HG22 HG21 ' A' ' 688' ' ' ILE . 75.6 t -61.79 -46.63 96.11 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.454 179.266 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -61.07 -43.69 98.5 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.193 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.67 -44.96 84.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.724 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.6 -39.9 95.55 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -62.16 -39.01 91.18 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.896 0.379 . . . . 0.0 111.302 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -65.15 -36.41 84.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.913 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 13.5 mmp_? -86.92 -40.67 14.61 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -178.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 77.0 m -125.13 135.12 52.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.7 0.286 . . . . 0.0 111.407 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 81.0 p -72.04 151.1 92.69 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.836 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 683' ' ' PRO . . . . . 0.446 ' HA ' ' O ' ' A' ' 686' ' ' LEU . 28.1 Cg_endo -62.81 -24.96 74.54 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.711 2.274 . . . . 0.0 113.605 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -73.34 -25.48 60.63 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 121.054 -0.258 . . . . 0.0 111.07 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -98.28 -35.54 10.3 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.842 0.353 . . . . 0.0 111.013 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 686' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 656' ' ' PRO . 1.8 tt -134.25 130.23 36.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.133 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -106.94 148.48 28.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.174 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 688' ' ' ILE . . . . . 0.633 HG21 HG22 ' A' ' 674' ' ' VAL . 72.6 mt -112.68 125.53 69.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.517 -179.08 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 689' ' ' PHE . . . . . 0.666 ' HB2' HD23 ' A' ' 660' ' ' LEU . 98.9 m-85 -120.79 140.19 52.06 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 91.7 mt -119.18 128.02 75.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.19 0.519 . . . . 0.0 111.163 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 691' ' ' LEU . . . . . 0.506 ' HG ' ' HB ' ' A' ' 704' ' ' ILE . 5.9 mp -90.38 117.19 28.91 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 130.58 -89.27 0.29 Allowed Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.301 -0.952 . . . . 0.0 112.938 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 88.8 p -137.89 162.04 35.05 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 120.861 0.362 . . . . 0.0 111.607 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 694' ' ' LYS . . . . . 0.484 ' HB2' ' HB3' ' A' ' 703' ' ' TYR . 87.1 tttt -138.02 134.36 34.7 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.134 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . 161.19 172.68 28.85 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.599 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 70.2 -44.9 0.58 Allowed 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -122.68 128.93 51.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.119 0.485 . . . . 0.0 111.854 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 -87.26 159.35 18.84 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.892 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 120.3 6.07 10.03 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.41 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 700' ' ' VAL . . . . . 0.42 ' HB ' ' HE3' ' A' ' 694' ' ' LYS . 58.0 t -107.37 125.08 63.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -65.02 -45.8 83.98 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -178.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -163.63 155.96 17.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.678 0.275 . . . . 0.0 111.153 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 703' ' ' TYR . . . . . 0.484 ' HB3' ' HB2' ' A' ' 694' ' ' LYS . 36.2 p90 -116.98 150.2 38.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.631 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 704' ' ' ILE . . . . . 0.506 ' HB ' ' HG ' ' A' ' 691' ' ' LEU . 26.7 mm -104.03 110.97 64.95 Favored Pre-proline 0 C--N 1.328 -0.347 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -61.2 147.23 96.2 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.183 2.589 . . . . 0.0 112.916 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 706' ' ' LEU . . . . . 0.566 ' HA ' ' C ' ' A' ' 707' ' ' PRO . 95.9 mt -115.18 152.5 46.81 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.209 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 707' ' ' PRO . . . . . 0.566 ' C ' ' HA ' ' A' ' 706' ' ' LEU . 36.1 Cg_exo -60.67 147.29 45.46 Favored 'Cis proline' 0 C--N 1.354 0.819 0 C-N-CA 124.362 -1.099 . . . . 0.0 113.218 0.241 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 708' ' ' ILE . . . . . . . . . . . . . 13.4 tt -77.94 131.91 33.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.879 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -115.17 142.61 28.85 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -54.33 -55.68 3.17 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.889 2.393 . . . . 0.0 114.055 -178.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 49.9 mp0 -63.58 -39.58 94.76 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.028 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 70.0 m -63.91 -47.29 81.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.371 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 713' ' ' PHE . . . . . 0.433 ' HZ ' HD13 ' A' ' 660' ' ' LEU . 86.5 t80 -60.49 -50.23 74.4 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.364 179.478 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 61.5 tp -62.79 -43.13 99.61 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -62.11 -44.37 96.8 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 111.606 0.224 . . . . 0.0 111.606 -179.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -66.86 -40.58 87.91 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.569 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 717' ' ' VAL . . . . . . . . . . . . . 56.6 t -64.39 -45.18 96.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-O 120.642 0.258 . . . . 0.0 110.929 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 89.4 m -60.65 -47.38 86.51 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.244 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 96.3 mmm -64.3 -39.6 94.24 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.808 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -62.83 -39.88 98.54 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.271 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 98.3 mt -76.98 -10.27 59.26 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 95.6 m -62.12 -42.43 99.23 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 120.819 0.343 . . . . 0.0 110.326 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 74.1 m -62.06 -37.83 86.46 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.74 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 724' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.56 -21.8 66.54 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.208 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . 74.7 61.05 0.07 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.505 0.722 . . . . 0.0 111.576 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 12.3 t -142.14 154.63 45.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.916 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 47.9 t -146.17 145.88 30.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.617 0.246 . . . . 0.0 110.901 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.3 95.89 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.501 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.32 -0.848 . . . . 0.0 110.646 -179.946 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 121.056 0.455 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.06 117.72 67.84 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -78.34 61.08 7.73 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.835 2.357 . . . . 0.0 113.085 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mp -88.37 83.52 6.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.017 0.437 . . . . 0.0 110.716 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.434 ' O ' ' HB2' ' B' ' 6' ' ' LYS . 10.4 mpt_? -126.33 -158.61 0.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.966 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' B' ' 5' ' ' ARG . 2.0 mppt? 73.44 73.77 0.13 Allowed 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.749 0.656 . . . . 0.0 112.513 178.271 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.491 HG21 ' HB ' ' A' ' 634' ' ' THR . 63.9 p -124.52 156.91 36.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.567 179.023 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.61 139.06 34.07 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 62.8 t -116.92 121.15 67.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.24 0.543 . . . . 0.0 111.813 -178.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.444 HD21 HD11 ' B' ' 90' ' ' LEU . 4.7 mp -103.59 124.72 49.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.685 178.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.581 ' HB2' ' HB3' ' B' ' 66' ' ' ALA . 51.4 mtpt -102.14 138.9 38.47 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.0 0.429 . . . . 0.0 110.74 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.517 HD23 HG13 ' B' ' 14' ' ' VAL . 1.4 tt -124.67 113.63 18.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.427 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' TYR . . . . . 0.547 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 57.8 m-85 -98.77 133.15 43.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.702 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.517 HG13 HD23 ' B' ' 12' ' ' LEU . 16.0 m -133.39 164.65 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.671 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.19 90.41 3.14 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.117 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.12 163.63 39.27 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.716 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -86.99 76.55 9.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.061 0.458 . . . . 0.0 110.4 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 43.4 p -106.21 149.79 38.61 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.327 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -54.76 -38.51 91.72 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.771 2.314 . . . . 0.0 112.939 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -61.52 -42.29 98.59 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.075 0.464 . . . . 0.0 110.414 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 67.1 m -70.71 -39.86 73.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.915 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 63.9 t -65.08 -45.15 95.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.667 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -66.51 -30.51 70.85 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.349 -0.387 . . . . 0.0 112.028 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.64 -39.77 85.44 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.891 0.377 . . . . 0.0 111.024 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.454 ' HB3' HD21 ' A' ' 654' ' ' LEU . 82.8 mt -62.84 -40.27 96.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.011 0.434 . . . . 0.0 110.847 178.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.44 -41.15 98.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.174 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 74.5 p -69.91 -37.63 76.02 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.223 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.425 ' HA ' HD13 ' B' ' 28' ' ' LEU . 1.9 mm? -67.29 -43.15 82.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.943 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.33 -42.83 99.71 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.276 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -62.82 -41.93 99.52 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.539 ' CD1' HG13 ' B' ' 86' ' ' VAL . 90.7 mt -68.21 -42.2 84.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.155 0.502 . . . . 0.0 110.845 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.497 HD22 ' HA ' ' B' ' 32' ' ' LEU . 0.4 OUTLIER -70.19 -42.85 71.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.717 -178.478 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -69.61 -20.22 63.63 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.98 -43.32 7.5 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 -178.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -95.68 -48.85 5.61 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 -177.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' PHE . . . . . 0.559 ' HD2' HG21 ' B' ' 39' ' ' VAL . 11.6 m-85 -131.79 65.28 1.57 Allowed 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -177.021 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -81.44 147.27 29.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.694 0.283 . . . . 0.0 110.921 178.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.33 1.15 88.25 Favored Glycine 0 CA--C 1.523 0.539 0 C-N-CA 120.998 -0.62 . . . . 0.0 114.644 178.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.559 HG21 ' HD2' ' B' ' 36' ' ' PHE . 6.5 m -124.97 -22.61 2.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 117.815 0.807 . . . . 0.0 112.111 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' TYR . . . . . 0.559 ' CD1' HG23 ' B' ' 39' ' ' VAL . 87.3 m-85 -120.32 134.38 55.27 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.953 0.406 . . . . 0.0 112.0 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.36 152.87 33.05 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 177.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' A' ' 641' ' ' ILE . 0.4 OUTLIER -121.08 145.37 47.86 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -178.055 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -126.2 136.8 53.27 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.734 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 60.8 t -116.64 123.03 71.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-O 120.701 0.286 . . . . 0.0 111.247 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.3 mp -124.54 132.83 70.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.776 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -98.49 111.81 24.04 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.502 HG12 ' HB2' ' B' ' 54' ' ' ALA . 32.4 m -64.67 -28.47 44.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -177.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 90.7 mt -66.48 -40.65 89.45 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -71.1 -38.84 72.38 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.698 ' OD1' ' HG2' ' B' ' 52' ' ' GLN . 26.3 t-20 -140.37 88.89 10.99 Favored Pre-proline 0 C--N 1.329 -0.29 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -64.55 -24.15 63.56 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.183 2.589 . . . . 0.0 114.626 -178.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.698 ' HG2' ' OD1' ' B' ' 50' ' ' ASN . 12.5 pt20 -68.94 -25.36 64.52 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.24 -179.254 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.05 -41.15 95.41 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.894 0.378 . . . . 0.0 110.395 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ALA . . . . . 0.502 ' HB2' HG12 ' B' ' 47' ' ' VAL . . . -66.39 -39.66 89.18 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.618 178.544 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.56 -37.01 85.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.281 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.28 -38.46 91.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.609 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -100.1 10.21 41.62 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.505 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt 56.27 47.28 19.55 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.281 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.402 ' HB ' ' HB1' ' B' ' 54' ' ' ALA . 46.0 mm -89.56 118.6 35.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.479 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -115.37 -1.13 12.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.87 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -147.82 148.66 31.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.616 0.246 . . . . 0.0 111.239 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 75.0 p -145.37 149.19 40.24 Favored Pre-proline 0 CA--C 1.53 0.201 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.586 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' PRO . . . . . 0.547 ' HA ' ' O ' ' B' ' 13' ' ' TYR . 2.7 Cg_exo -80.14 136.06 36.2 Favored 'Cis proline' 0 C--N 1.351 0.659 0 C-N-CA 124.143 -1.19 . . . . 0.0 112.125 -1.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 24.9 p -132.6 154.19 50.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.017 0.436 . . . . 0.0 111.814 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.41 HD21 HD12 ' B' ' 12' ' ' LEU . 81.3 mt -100.46 126.16 46.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.352 178.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ALA . . . . . 0.581 ' HB3' ' HB2' ' B' ' 11' ' ' LYS . . . -116.53 131.31 56.98 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.738 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.594 ' O ' ' HA ' ' B' ' 73' ' ' VAL . 37.7 ttpt -101.69 117.84 35.71 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 1.9 m -104.23 -38.83 5.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.789 0.328 . . . . 0.0 110.629 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 85.4 mt -137.88 131.33 16.84 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.101 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -72.68 149.74 94.25 Favored 'Cis proline' 0 C--N 1.348 0.518 0 C-N-CA 124.228 -1.155 . . . . 0.0 112.509 -1.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -73.78 166.65 29.19 Favored 'Trans proline' 0 CA--C 1.533 0.475 0 C-N-CA 123.08 2.52 . . . . 0.0 111.824 178.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.05 165.61 84.65 Favored 'Cis proline' 0 C--N 1.355 0.874 0 C-N-CA 124.654 -0.977 . . . . 0.0 114.155 1.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.594 ' HA ' ' O ' ' B' ' 67' ' ' LYS . 92.7 t -71.23 126.19 31.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -129.51 153.86 47.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.423 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 95.8 mtm-85 -123.69 141.77 51.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 111.303 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 82.8 mt -117.47 123.99 72.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.963 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 81.9 mt -116.14 124.53 72.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.319 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 175.11 -170.92 44.11 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.843 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -87.05 98.46 11.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.831 0.348 . . . . 0.0 110.192 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.466 HD12 ' HB2' ' B' ' 63' ' ' PRO . 98.1 mt -70.34 -27.06 64.05 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.579 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 74.1 m -63.28 -31.0 72.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.212 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -81.68 107.75 14.67 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' ARG . . . . . 0.519 ' HA ' HG12 ' B' ' 86' ' ' VAL . 61.0 ttp180 -59.84 -37.43 79.23 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.974 -178.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -58.98 -47.43 85.2 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.583 0.23 . . . . 0.0 111.581 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt -71.99 -45.3 61.47 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.539 HG13 ' CD1' ' B' ' 31' ' ' ILE . 12.5 p -65.04 -30.34 50.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.66 -179.258 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.481 ' HA ' HD13 ' B' ' 31' ' ' ILE . 66.9 tp -61.62 -46.02 91.59 Favored 'General case' 0 C--N 1.334 -0.075 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 177.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 90.8 mt -62.73 -47.46 92.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.357 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.16 98.87 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.522 HD12 HD12 ' B' ' 93' ' ' LEU . 13.6 tp -72.16 -32.55 66.98 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.717 0.294 . . . . 0.0 111.091 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 18.3 tpp85 -60.48 -39.55 88.07 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.556 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 88.7 mt -61.97 -40.03 94.18 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.93 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.522 HD12 HD12 ' B' ' 90' ' ' LEU . 89.4 mt -64.0 -40.96 97.54 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.761 0.315 . . . . 0.0 110.736 179.35 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.522 ' O ' HG22 ' B' ' 97' ' ' ILE . . . -63.18 -40.56 97.89 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.234 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.26 -40.69 98.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.719 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -64.0 -40.69 96.92 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.233 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.522 HG22 ' O ' ' B' ' 94' ' ' ALA . 14.0 tt -70.3 -28.13 34.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-O 120.713 0.292 . . . . 0.0 111.415 -179.364 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -85.04 -5.32 86.09 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.647 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 29.8 t0 55.56 45.31 25.17 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 122.787 0.435 . . . . 0.0 111.357 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -72.32 130.4 40.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -123.84 145.96 48.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.418 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -155.84 149.31 24.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.464 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -101.79 107.06 18.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.636 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -155.8 155.41 32.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.386 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -157.9 159.86 37.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.167 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 63.2 pttt . . . . . 0 C--O 1.251 1.156 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.929 179.969 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.974 0.416 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . 144.41 119.83 1.36 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.713 -0.756 . . . . 0.0 113.012 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -81.67 128.16 33.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.62 0.248 . . . . 0.0 110.952 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.634 ' HB ' HG22 ' A' ' 640' ' ' VAL . 50.4 mm -123.59 125.38 71.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.408 179.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 617' ' ' VAL . . . . . 0.604 HG23 ' HB3' ' A' ' 656' ' ' PRO . 98.6 t -116.59 123.88 72.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.007 0.432 . . . . 0.0 110.279 178.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 63.5 tp -108.24 122.6 47.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.276 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 619' ' ' VAL . . . . . 0.407 ' HB ' HD23 ' A' ' 661' ' ' LEU . 61.8 t -112.94 106.35 20.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.994 0.426 . . . . 0.0 110.143 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 46.9 t -162.25 145.59 11.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.946 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -90.84 0.24 57.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.749 0.309 . . . . 0.0 111.179 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -89.19 103.75 16.35 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.83 -36.72 77.39 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.452 -0.795 . . . . 0.0 112.892 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -59.39 -41.33 89.16 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -178.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.53 -38.17 49.29 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 121.177 -0.209 . . . . 0.0 111.353 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 66.1 m -61.65 -45.51 93.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.681 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 85.2 m -64.93 -45.95 83.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.971 0.415 . . . . 0.0 111.027 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.402 ' O ' HG13 ' A' ' 632' ' ' ILE . 63.0 tp -66.42 -50.61 62.82 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.323 -179.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 629' ' ' ILE . . . . . . . . . . . . . 64.5 mt -65.97 -39.25 84.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 71.8 m -60.02 -40.91 90.94 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 631' ' ' SER . . . . . 0.449 ' HB3' ' CB ' ' B' ' 5' ' ' ARG . 64.9 m -65.62 -41.16 93.03 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.856 177.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 632' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 628' ' ' LEU . 74.4 mt -61.19 -48.31 89.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 633' ' ' LEU . . . . . 0.403 ' CB ' HG21 ' A' ' 640' ' ' VAL . 2.2 mm? -81.65 -37.73 27.04 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -178.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 634' ' ' THR . . . . . 0.659 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 93.6 m -64.14 -42.26 96.86 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -178.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 635' ' ' THR . . . . . 0.503 HG21 ' HG ' ' B' ' 4' ' ' LEU . 20.4 m -60.97 -36.43 79.39 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.936 0.398 . . . . 0.0 111.398 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -69.09 -5.69 23.71 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 107.71 6.61 32.66 Favored Glycine 0 C--N 1.334 0.425 0 C-N-CA 120.519 -0.848 . . . . 0.0 113.806 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 638' ' ' TYR . . . . . 0.659 ' O ' ' HA ' ' A' ' 634' ' ' THR . 89.4 m-85 -99.45 150.6 22.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.916 0.358 . . . . 0.0 110.48 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -99.2 108.21 20.74 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 640' ' ' VAL . . . . . 0.634 HG22 ' HB ' ' A' ' 616' ' ' ILE . 58.7 t -105.68 128.79 59.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -177.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 641' ' ' ILE . . . . . 0.544 HG21 HD13 ' A' ' 654' ' ' LEU . 83.9 mt -120.15 126.57 75.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 114.937 -1.029 . . . . 0.0 108.921 177.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 642' ' ' TRP . . . . . . . . . . . . . 70.0 t90 -91.99 116.0 28.55 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 643' ' ' LEU . . . . . 0.464 HD22 ' HA ' ' A' ' 643' ' ' LEU . 0.2 OUTLIER -114.87 133.12 56.23 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.763 -178.399 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 27.6 m -74.88 145.84 10.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -71.21 164.09 26.35 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -177.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 102.83 -18.96 48.6 Favored Glycine 0 CA--C 1.523 0.571 0 CA-C-N 114.637 -1.165 . . . . 0.0 114.25 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -116.69 94.69 4.71 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 117.945 0.873 . . . . 0.0 112.666 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 71.2 t -70.11 -40.55 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.861 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.98 -38.64 79.62 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.78 0.324 . . . . 0.0 110.421 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 650' ' ' ARG . . . . . 0.431 ' HE ' HD11 ' A' ' 643' ' ' LEU . 25.2 ttp180 -64.42 -37.85 88.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.578 177.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 87.0 mt -63.81 -39.78 95.05 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.911 178.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -64.43 -35.3 80.48 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.365 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 653' ' ' ALA . . . . . 0.503 ' HB2' HG13 ' B' ' 22' ' ' VAL . . . -58.33 -37.84 75.94 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.785 178.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 654' ' ' LEU . . . . . 0.801 HD11 HD23 ' B' ' 25' ' ' LEU . 84.1 mt -108.27 29.11 7.65 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.521 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 655' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -31.11 101.99 0.18 Allowed Pre-proline 0 N--CA 1.477 0.912 0 N-CA-C 113.688 0.995 . . . . 0.0 113.688 -178.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 656' ' ' PRO . . . . . 0.604 ' HB3' HG23 ' A' ' 617' ' ' VAL . 42.7 Cg_endo -87.74 174.76 4.69 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.723 2.949 . . . . 0.0 112.995 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 47.2 pt -84.35 -19.69 9.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.494 0.664 . . . . 0.0 109.226 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 658' ' ' ALA . . . . . 0.718 ' HB2' HD21 ' A' ' 721' ' ' LEU . . . -153.45 147.94 26.08 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.212 -0.903 . . . . 0.0 110.435 179.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.606 HG23 HD11 ' A' ' 686' ' ' LEU . 74.0 t -118.04 127.26 75.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.454 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.677 HD13 ' HZ ' ' A' ' 713' ' ' PHE . 76.4 mt -103.08 116.53 32.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.975 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 661' ' ' LEU . . . . . 0.407 HD23 ' HB ' ' A' ' 619' ' ' VAL . 88.2 mt -109.31 126.3 53.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.377 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -140.91 144.92 35.49 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.839 0.352 . . . . 0.0 111.192 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 663' ' ' GLU . . . . . 0.442 ' OE1' ' HA ' ' A' ' 664' ' ' PRO . 72.8 mm-40 -72.69 156.56 89.93 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.952 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 664' ' ' PRO . . . . . 0.442 ' HA ' ' OE1' ' A' ' 663' ' ' GLU . 47.0 Cg_endo -90.01 164.28 34.46 Favored 'Cis proline' 0 C--N 1.35 0.627 0 C-N-CA 124.332 -1.112 . . . . 0.0 113.778 -1.04 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -115.33 120.61 40.19 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.228 178.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 78.4 p -70.78 -38.52 73.41 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -146.86 130.96 17.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.082 0.467 . . . . 0.0 111.523 -179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 99.59 154.4 28.07 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.738 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -95.91 146.29 24.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.639 0.257 . . . . 0.0 110.765 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 75.8 t -60.92 -43.22 95.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.488 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -62.92 -39.15 93.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.829 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -62.98 -43.11 99.68 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.909 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.99 -41.4 99.56 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.988 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 674' ' ' VAL . . . . . 0.706 HG22 HG21 ' A' ' 688' ' ' ILE . 76.8 t -61.7 -47.14 94.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.394 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -61.98 -44.41 96.79 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.783 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -63.45 -42.3 98.63 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.747 0.308 . . . . 0.0 111.487 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 86.7 mt -66.05 -38.86 89.43 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.427 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 37.7 mtp-105 -63.03 -37.64 88.0 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.976 0.417 . . . . 0.0 111.036 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -64.08 -36.42 83.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.575 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -87.66 -41.27 13.5 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 76.3 m -126.42 135.86 51.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.728 0.299 . . . . 0.0 111.281 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 60.7 p -74.11 156.91 87.43 Favored Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -55.74 -36.09 94.47 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 123.053 2.502 . . . . 0.0 113.662 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -70.58 -21.4 62.69 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.739 0.304 . . . . 0.0 111.316 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -94.74 -35.68 12.03 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.16 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 686' ' ' LEU . . . . . 0.606 HD11 HG23 ' A' ' 659' ' ' VAL . 0.3 OUTLIER -144.38 134.42 24.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.43 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -112.25 148.86 33.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.175 0.512 . . . . 0.0 111.761 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 688' ' ' ILE . . . . . 0.706 HG21 HG22 ' A' ' 674' ' ' VAL . 47.8 mm -107.8 125.43 64.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.08 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 689' ' ' PHE . . . . . 0.604 ' HB2' HD23 ' A' ' 660' ' ' LEU . 98.9 m-85 -119.36 139.27 52.26 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 178.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 85.9 mt -119.55 129.55 75.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.858 0.361 . . . . 0.0 111.27 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 691' ' ' LEU . . . . . 0.65 HD11 ' HE1' ' A' ' 713' ' ' PHE . 4.7 mp -94.14 128.47 40.58 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.08 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 112.59 -103.31 1.43 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.489 -0.862 . . . . 0.0 112.365 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 88.0 p -138.24 161.08 37.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.557 0.218 . . . . 0.0 110.645 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 694' ' ' LYS . . . . . 0.415 ' NZ ' ' HA ' ' A' ' 696' ' ' ASN . 5.6 ptmm? -144.58 160.92 40.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.825 0.345 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . -100.05 29.31 12.42 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 121.128 -0.558 . . . . 0.0 112.588 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 696' ' ' ASN . . . . . 0.415 ' HA ' ' NZ ' ' A' ' 694' ' ' LYS . 54.2 t30 59.53 45.1 13.85 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.302 0.572 . . . . 0.0 111.134 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -82.3 148.41 28.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.943 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 23.1 mp0 -72.3 151.32 42.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.825 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 95.16 -7.86 69.59 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.952 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 61.7 t -98.57 114.56 36.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -69.18 -43.31 74.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.141 -0.482 . . . . 0.0 112.182 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -160.6 155.75 24.6 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.246 -178.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -119.47 148.97 42.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.873 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 704' ' ' ILE . . . . . 0.448 HG21 ' HD1' ' A' ' 713' ' ' PHE . 4.6 mm -107.51 107.74 60.76 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -179.355 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -70.26 148.78 62.55 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.449 2.1 . . . . 0.0 112.91 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 706' ' ' LEU . . . . . 0.834 HD23 HG23 ' A' ' 708' ' ' ILE . 85.2 mt -102.39 149.13 36.38 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 707' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -73.98 156.21 99.73 Favored 'Cis proline' 0 C--N 1.352 0.716 0 C-N-CA 123.74 -1.358 . . . . 0.0 112.668 -0.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 708' ' ' ILE . . . . . 0.834 HG23 HD23 ' A' ' 706' ' ' LEU . 44.2 pt -107.17 154.77 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.239 0.543 . . . . 0.0 111.61 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -116.05 149.2 42.98 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -52.25 -50.59 13.5 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.486 2.124 . . . . 0.0 113.445 -178.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 50.0 mp0 -68.26 -40.31 81.95 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.222 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 68.9 m -62.08 -47.54 84.19 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.412 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 713' ' ' PHE . . . . . 0.677 ' HZ ' HD13 ' A' ' 660' ' ' LEU . 89.7 t80 -60.84 -49.27 78.14 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.689 179.025 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 68.1 tp -61.98 -46.99 86.82 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -179.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -64.98 -41.85 95.06 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -65.57 -43.03 91.04 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.554 0.216 . . . . 0.0 111.263 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 717' ' ' VAL . . . . . . . . . . . . . 65.6 t -66.41 -44.61 90.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-O 120.76 0.314 . . . . 0.0 110.812 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 718' ' ' THR . . . . . 0.46 ' O ' HG23 ' A' ' 722' ' ' THR . 91.1 m -61.94 -46.58 88.67 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.117 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 60.6 ttm -61.18 -42.99 99.55 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.23 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -61.65 -37.12 93.7 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 121.202 -0.523 . . . . 0.0 113.164 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 721' ' ' LEU . . . . . 0.718 HD21 ' HB2' ' A' ' 658' ' ' ALA . 90.3 mt -86.2 -1.01 57.05 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -178.378 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 722' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 718' ' ' THR . 64.1 p -63.64 -37.91 89.12 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.331 0.514 . . . . 0.0 111.811 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 80.5 p -70.87 -36.05 72.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.878 0.371 . . . . 0.0 110.874 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 724' ' ' LEU . . . . . . . . . . . . . 2.7 tt -64.08 -46.92 82.18 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.352 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -159.2 156.64 29.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.883 0.373 . . . . 0.0 111.19 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 76.8 p -125.82 155.79 40.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.601 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 39.3 t -153.65 148.5 26.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.328 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -101.03 134.05 44.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.571 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.636 -179.785 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.1 mtt . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 121.042 0.449 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.1 109.39 58.92 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.947 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -59.68 141.0 96.27 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.863 2.375 . . . . 0.0 112.463 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.503 ' HG ' HG21 ' A' ' 635' ' ' THR . 62.9 tp -117.02 126.79 53.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.666 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.449 ' CB ' ' HB3' ' A' ' 631' ' ' SER . 0.0 OUTLIER -132.51 -100.15 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.35 179.88 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt 59.49 41.46 19.17 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.405 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 33.5 p -101.43 158.68 15.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.772 0.32 . . . . 0.0 111.266 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.28 149.82 24.99 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 178.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.677 HG12 ' HB3' ' B' ' 41' ' ' ALA . 15.6 m -127.23 140.48 48.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.232 0.539 . . . . 0.0 112.375 -178.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.46 HD11 HD11 ' B' ' 90' ' ' LEU . 69.5 mt -113.98 140.66 48.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.58 178.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.651 ' HB2' ' HB3' ' B' ' 66' ' ' ALA . 55.1 mttp -104.1 126.79 51.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.141 0.496 . . . . 0.0 111.365 179.135 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.485 ' HB2' HD11 ' B' ' 42' ' ' LEU . 0.3 OUTLIER -113.95 110.59 20.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.005 178.843 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 13' ' ' TYR . . . . . 0.453 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 86.7 m-85 -97.26 123.74 41.15 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.252 179.198 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.595 HG12 ' HB3' ' B' ' 63' ' ' PRO . 27.8 m -135.86 170.2 19.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.054 -179.047 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.848 ' HB1' ' HB2' ' B' ' 48' ' ' LEU . . . -148.39 138.94 22.78 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.814 0.34 . . . . 0.0 111.266 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.63 175.45 50.29 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.074 -0.584 . . . . 0.0 113.752 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -110.65 21.62 16.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.494 -0.353 . . . . 0.0 110.484 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 66.8 p -70.57 155.54 93.26 Favored Pre-proline 0 C--O 1.235 0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.571 -178.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -55.47 -36.6 94.49 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.096 2.531 . . . . 0.0 113.103 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.09 -45.34 93.27 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.667 0.27 . . . . 0.0 110.74 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 74.1 m -70.12 -40.87 74.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.785 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.543 ' O ' ' HG3' ' B' ' 26' ' ' LYS . 62.1 t -64.36 -47.61 88.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.031 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 47.3 mtm105 -64.87 -35.59 81.62 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 -178.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.61 -40.84 88.83 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.524 0.202 . . . . 0.0 111.12 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.801 HD23 HD11 ' A' ' 654' ' ' LEU . 0.3 OUTLIER -63.37 -41.18 98.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.95 0.405 . . . . 0.0 110.752 179.074 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' B' ' 22' ' ' VAL . 27.7 mtpt -69.37 -38.0 77.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.504 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 94.4 m -61.88 -47.35 85.39 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.912 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 mp -67.44 -41.19 85.18 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.987 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.0 -41.89 97.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.268 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -61.79 -44.41 96.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.891 0.376 . . . . 0.0 111.024 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.717 HD11 ' HG3' ' B' ' 83' ' ' ARG . 94.8 mt -65.49 -43.98 94.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.389 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 4.3 mp -69.16 -42.16 76.29 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.165 -178.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -71.38 -15.71 62.38 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -178.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -96.99 -62.76 1.21 Allowed 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -178.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -96.69 -21.51 17.55 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -177.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -116.38 26.41 9.92 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.566 -0.454 . . . . 0.0 112.093 -177.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -70.96 132.41 45.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.075 0.464 . . . . 0.0 111.933 -178.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.75 -10.44 74.77 Favored Glycine 0 CA--C 1.519 0.308 0 CA-C-N 115.83 -0.623 . . . . 0.0 114.056 178.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.556 HG23 ' HD1' ' B' ' 40' ' ' TYR . 4.7 m -121.09 -27.13 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 117.614 0.707 . . . . 0.0 112.801 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' TYR . . . . . 0.556 ' HD1' HG23 ' B' ' 39' ' ' VAL . 64.1 m-85 -122.79 134.57 54.42 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.677 ' HB3' HG12 ' B' ' 9' ' ' VAL . . . -113.33 151.66 30.92 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.485 HD11 ' HB2' ' B' ' 12' ' ' LEU . 63.5 tp -113.71 131.14 56.29 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -177.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -118.07 128.92 55.22 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.492 HG11 HD21 ' B' ' 25' ' ' LEU . 60.0 t -120.19 129.22 75.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -177.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.1 mp -121.88 132.99 69.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -91.46 107.07 18.95 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 33.9 m -73.93 -24.43 19.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -178.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.848 ' HB2' ' HB1' ' B' ' 15' ' ' ALA . 60.9 tp -64.91 -44.42 89.64 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.294 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.93 -39.3 69.56 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.443 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.544 ' OD1' ' HB3' ' B' ' 52' ' ' GLN . 19.4 t-20 -130.11 94.51 30.56 Favored Pre-proline 0 C--N 1.329 -0.315 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.64 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -64.4 -22.17 66.09 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.783 2.322 . . . . 0.0 112.481 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.544 ' HB3' ' OD1' ' B' ' 50' ' ' ASN . 56.0 tt0 -60.91 -42.18 97.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.225 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.538 ' HG ' ' OD1' ' B' ' 50' ' ' ASN . 96.4 mt -62.48 -41.07 98.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.974 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.8 -40.36 95.09 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.701 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.35 -36.45 84.17 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.279 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.44 -38.89 92.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.602 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -100.56 9.42 42.55 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 121.184 -0.206 . . . . 0.0 111.486 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 49.2 mmtm 56.38 48.71 16.46 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 47.1 mm -92.1 112.41 25.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.249 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 88.4 mt -109.22 4.63 23.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.921 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -146.52 154.55 41.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.836 0.35 . . . . 0.0 111.271 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' THR . . . . . 0.425 ' OG1' ' HA ' ' B' ' 14' ' ' VAL . 2.0 t -154.31 139.73 12.14 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' PRO . . . . . 0.595 ' HB3' HG12 ' B' ' 14' ' ' VAL . 71.6 Cg_endo -75.99 147.83 88.62 Favored 'Cis proline' 0 C--N 1.35 0.624 0 C-N-CA 123.586 -1.423 . . . . 0.0 112.968 -0.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 1.9 p -134.03 145.42 49.43 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.013 0.435 . . . . 0.0 111.975 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 tt -101.57 117.44 34.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.183 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ALA . . . . . 0.651 ' HB3' ' HB2' ' B' ' 11' ' ' LYS . . . -109.95 127.6 54.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.972 0.415 . . . . 0.0 110.934 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.584 ' HE2' ' O ' ' B' ' 70' ' ' PRO . 0.0 OUTLIER -92.25 122.83 35.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.046 179.601 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 23.4 t -100.38 -55.95 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 0.0 111.132 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 79.4 mt -130.03 145.62 58.0 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.551 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' PRO . . . . . 0.584 ' O ' ' HE2' ' B' ' 67' ' ' LYS . 92.0 Cg_endo -77.49 153.75 94.86 Favored 'Cis proline' 0 C--N 1.349 0.605 0 C-N-CA 123.761 -1.35 . . . . 0.0 112.067 -1.468 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -72.29 164.44 35.62 Favored 'Trans proline' 0 CA--C 1.533 0.456 0 C-N-CA 122.273 1.982 . . . . 0.0 112.464 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -71.84 156.7 97.47 Favored 'Cis proline' 0 C--N 1.355 0.884 0 C-N-CA 124.296 -1.127 . . . . 0.0 113.925 1.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 21.0 m -73.93 138.6 20.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.73 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -139.49 161.89 36.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.257 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 35.1 ptt-85 -126.83 146.66 50.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.941 0.4 . . . . 0.0 110.754 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' ILE . . . . . 0.438 HD13 ' HB1' ' B' ' 89' ' ' ALA . 82.9 mt -120.28 126.45 75.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.49 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 43.8 pt -118.86 142.58 33.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.539 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.81 -157.92 28.89 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.668 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -87.32 97.25 10.69 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.1 mp -80.28 -10.46 59.76 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 77.4 p -73.19 -16.12 61.43 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.041 0.448 . . . . 0.0 110.49 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -95.06 116.23 28.44 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.77 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' ARG . . . . . 0.717 ' HG3' HD11 ' B' ' 31' ' ' ILE . 57.4 ttp180 -60.02 -35.92 76.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.849 -179.349 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -59.24 -46.77 87.59 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -40.1 83.99 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.427 -179.172 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 81.5 t -65.0 -46.22 92.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.543 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.402 HD13 HG23 ' B' ' 31' ' ' ILE . 66.1 tp -62.91 -46.87 85.8 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.23 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 81.0 mt -61.98 -47.99 90.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.817 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' ALA . . . . . 0.438 ' HB1' HD13 ' B' ' 76' ' ' ILE . . . -65.4 -42.54 92.48 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.46 HD11 HD11 ' B' ' 10' ' ' LEU . 49.6 tp -68.24 -37.16 80.49 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.327 -179.284 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -57.75 -37.99 74.57 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.0 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.65 -39.24 90.64 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 120.931 0.396 . . . . 0.0 110.348 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.541 HD22 ' HG3' ' B' ' 67' ' ' LYS . 99.2 mt -65.01 -37.01 86.24 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.81 179.118 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.463 ' O ' HG22 ' B' ' 97' ' ' ILE . . . -60.36 -36.13 77.31 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.676 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.16 -37.7 77.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.002 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -61.72 -42.32 98.8 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.463 HG22 ' O ' ' B' ' 94' ' ' ALA . 11.0 tp -75.74 -29.9 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-O 120.806 0.336 . . . . 0.0 110.994 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.26 -21.61 77.28 Favored Glycine 0 C--N 1.333 0.413 0 C-N-CA 121.119 -0.563 . . . . 0.0 112.836 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -84.61 75.0 10.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.973 0.416 . . . . 0.0 110.646 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -128.38 129.31 46.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.413 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -117.98 145.9 44.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.585 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -156.56 158.88 37.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.17 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -154.85 158.77 39.88 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -156.65 157.85 35.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.253 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -63.14 -42.82 99.55 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.127 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 68.9 mttm . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.32 -0.848 . . . . 0.0 110.638 179.87 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 121.135 0.493 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 614' ' ' GLY . . . . . 0.47 ' HA3' HD13 ' A' ' 657' ' ' ILE . . . -170.03 171.81 43.59 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.688 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 615' ' ' ARG . . . . . 0.462 ' O ' HG12 ' A' ' 657' ' ' ILE . 93.1 mtm-85 -91.75 136.63 33.0 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.863 0.363 . . . . 0.0 111.265 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.575 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 90.7 mt -130.08 130.12 65.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.811 178.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 617' ' ' VAL . . . . . 0.469 HG23 ' HB3' ' A' ' 656' ' ' PRO . 92.0 t -114.23 127.28 71.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.012 0.434 . . . . 0.0 111.189 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 57.2 tp -108.98 124.38 50.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.132 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 58.4 t -113.98 113.7 44.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.061 0.458 . . . . 0.0 110.198 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 88.4 p -163.01 162.68 26.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.435 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -100.53 -1.94 34.29 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.404 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -94.4 106.81 18.8 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 50.6 mp0 -62.45 -38.61 90.44 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.429 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -61.03 -42.72 99.0 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.765 0.317 . . . . 0.0 111.211 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 625' ' ' THR . . . . . 0.402 ' O ' HG12 ' A' ' 629' ' ' ILE . 88.6 m -65.83 -44.88 84.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.739 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 88.6 p -64.16 -38.08 89.77 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.016 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 91.0 m -62.94 -45.86 90.49 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.995 0.426 . . . . 0.0 110.502 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 64.9 tp -65.52 -46.39 79.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.472 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 629' ' ' ILE . . . . . 0.416 HD11 HD11 ' A' ' 708' ' ' ILE . 36.9 mm -63.01 -46.15 97.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 25.8 p -65.71 -36.13 82.73 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.455 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 70.3 m -65.2 -43.18 92.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.74 0.305 . . . . 0.0 110.943 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.93 -50.26 78.17 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 633' ' ' LEU . . . . . 0.575 ' HB2' HG21 ' A' ' 640' ' ' VAL . 85.8 mt -71.84 -39.88 69.44 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -178.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 634' ' ' THR . . . . . 0.673 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 94.0 m -64.04 -41.96 97.23 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -178.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 635' ' ' THR . . . . . 0.582 HG21 ' HG ' ' B' ' 4' ' ' LEU . 27.5 m -60.87 -37.76 83.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.963 0.411 . . . . 0.0 110.742 -179.379 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -70.62 -6.42 36.67 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.408 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 107.91 7.48 31.22 Favored Glycine 0 C--N 1.333 0.393 0 C-N-CA 120.54 -0.838 . . . . 0.0 113.898 179.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 638' ' ' TYR . . . . . 0.673 ' O ' ' HA ' ' A' ' 634' ' ' THR . 90.9 m-85 -97.7 150.96 20.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.078 0.439 . . . . 0.0 110.727 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -101.04 109.16 21.02 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 640' ' ' VAL . . . . . 0.575 HG21 ' HB2' ' A' ' 633' ' ' LEU . 57.7 t -107.64 127.74 63.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.355 0.598 . . . . 0.0 112.55 -178.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 641' ' ' ILE . . . . . 0.645 HG21 HD13 ' A' ' 654' ' ' LEU . 81.4 mt -120.21 125.07 73.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.026 178.083 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 642' ' ' TRP . . . . . 0.452 ' HB3' ' HG2' ' B' ' 43' ' ' LYS . 74.1 t90 -95.25 119.86 34.48 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.987 0.422 . . . . 0.0 110.187 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 643' ' ' LEU . . . . . 0.489 HD21 HD12 ' A' ' 654' ' ' LEU . 88.5 mt -114.53 143.1 45.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.627 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 644' ' ' VAL . . . . . 0.432 HG13 ' O ' ' B' ' 44' ' ' VAL . 14.2 m -75.06 145.93 10.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -69.19 158.25 35.3 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -176.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 103.76 -17.65 48.98 Favored Glycine 0 CA--C 1.524 0.609 0 CA-C-N 115.192 -0.913 . . . . 0.0 115.245 178.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -115.72 105.63 12.95 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 118.62 1.21 . . . . 0.0 113.345 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 81.0 t -71.68 -38.86 68.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.21 178.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 48.9 mp0 -58.51 -38.89 78.65 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.196 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -64.33 -37.63 88.18 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.95 -43.13 93.7 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.73 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.406 HD21 ' HG3' ' A' ' 680' ' ' ARG . 89.7 mt -66.61 -39.31 88.28 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.841 178.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 653' ' ' ALA . . . . . 0.573 ' HB2' HG13 ' B' ' 22' ' ' VAL . . . -59.31 -40.6 86.75 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.272 0.558 . . . . 0.0 111.05 179.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 654' ' ' LEU . . . . . 0.645 HD13 HG21 ' A' ' 641' ' ' ILE . 95.6 mt -109.16 30.74 6.3 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.096 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 655' ' ' THR . . . . . . . . . . . . . 6.9 t -45.9 111.11 1.32 Allowed Pre-proline 0 N--CA 1.469 0.48 0 CA-C-O 122.051 0.929 . . . . 0.0 112.694 -178.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 656' ' ' PRO . . . . . 0.469 ' HB3' HG23 ' A' ' 617' ' ' VAL . 33.1 Cg_endo -88.65 -172.41 0.72 Allowed 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 124.103 3.202 . . . . 0.0 113.329 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.47 HD13 ' HA3' ' A' ' 614' ' ' GLY . 47.9 pt -90.64 -20.04 7.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.502 0.667 . . . . 0.0 109.203 177.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -149.51 140.63 23.01 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.901 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.859 HG23 HD11 ' A' ' 686' ' ' LEU . 72.4 t -115.35 127.95 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.856 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.671 HD23 ' HB2' ' A' ' 689' ' ' PHE . 81.6 mt -107.46 120.8 43.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.403 179.572 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 85.2 mt -112.86 129.3 56.5 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 662' ' ' ALA . . . . . 0.457 ' HB2' ' HB2' ' A' ' 691' ' ' LEU . . . -140.68 152.66 45.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.122 0.487 . . . . 0.0 112.186 -179.185 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -78.46 158.94 75.71 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.525 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 664' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -84.68 161.62 66.35 Favored 'Cis proline' 0 C--N 1.351 0.661 0 C-N-CA 124.268 -1.139 . . . . 0.0 113.57 -0.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -115.25 97.74 6.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.042 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 66.7 m -63.57 -41.4 98.4 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.747 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -144.23 130.55 19.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.247 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 107.32 145.1 11.89 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.599 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -96.19 123.85 39.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.388 0.137 . . . . 0.0 110.831 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 62.2 t -60.08 -44.36 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.591 -179.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -61.57 -40.97 96.64 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.682 0.277 . . . . 0.0 110.797 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -62.85 -40.76 98.44 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.616 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.82 -41.35 97.67 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.706 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 674' ' ' VAL . . . . . 0.566 HG22 HG21 ' A' ' 688' ' ' ILE . 77.5 t -61.56 -46.55 96.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.067 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -61.85 -45.33 94.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.661 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 676' ' ' GLN . . . . . 0.564 ' O ' ' HG2' ' A' ' 680' ' ' ARG . 93.5 mm-40 -63.99 -43.41 95.77 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 677' ' ' LEU . . . . . 0.485 ' HB2' HD11 ' A' ' 688' ' ' ILE . 87.4 mt -65.5 -38.94 91.18 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.748 0.309 . . . . 0.0 111.363 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -61.37 -39.01 89.06 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.889 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.7 -18.91 60.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.143 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 680' ' ' ARG . . . . . 0.564 ' HG2' ' O ' ' A' ' 676' ' ' GLN . 16.0 mmp_? -88.44 -43.26 11.6 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 70.8 m -131.39 148.85 52.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.555 0.217 . . . . 0.0 111.263 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 55.7 p -73.58 157.53 87.57 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.762 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -55.07 -37.2 94.08 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.966 2.444 . . . . 0.0 113.73 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -70.86 -19.26 62.65 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.766 0.317 . . . . 0.0 111.348 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -97.11 -35.81 10.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.198 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 686' ' ' LEU . . . . . 0.859 HD11 HG23 ' A' ' 659' ' ' VAL . 65.6 tp -144.75 129.62 18.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.146 0.498 . . . . 0.0 111.42 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 687' ' ' LYS . . . . . 0.494 ' HE3' ' OG ' ' A' ' 723' ' ' SER . 68.3 mttm -119.03 148.48 42.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.487 178.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 688' ' ' ILE . . . . . 0.566 HG21 HG22 ' A' ' 674' ' ' VAL . 79.7 mt -116.43 129.2 73.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.364 -178.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 689' ' ' PHE . . . . . 0.671 ' HB2' HD23 ' A' ' 660' ' ' LEU . 98.8 m-85 -118.21 142.75 47.14 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 690' ' ' ILE . . . . . 0.543 HG21 ' HB2' ' A' ' 693' ' ' SER . 80.8 mt -119.12 130.38 73.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.88 0.371 . . . . 0.0 111.379 -178.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 691' ' ' LEU . . . . . 0.545 HD11 ' HE1' ' A' ' 713' ' ' PHE . 5.9 mp -103.31 120.46 40.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.946 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 91.67 -10.18 75.25 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 121.066 -0.588 . . . . 0.0 114.487 178.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 693' ' ' SER . . . . . 0.543 ' HB2' HG21 ' A' ' 690' ' ' ILE . 50.9 m -130.81 152.39 50.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 117.539 0.669 . . . . 0.0 110.75 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -148.01 157.76 43.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.989 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . 173.66 168.62 34.96 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 121.077 -0.582 . . . . 0.0 111.992 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -91.33 72.14 6.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.935 0.397 . . . . 0.0 110.634 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -126.27 135.2 51.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.44 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -68.84 152.38 45.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.004 0.431 . . . . 0.0 111.299 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 100.39 -10.49 59.61 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.625 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 59.5 t -108.6 116.69 52.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -70.56 -43.19 70.01 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.889 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 702' ' ' ARG . . . . . 0.411 HH12 ' CA ' ' A' ' 720' ' ' GLY . 44.3 ttm105 -164.44 154.93 14.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.632 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -115.08 146.7 41.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.016 0.436 . . . . 0.0 110.812 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 704' ' ' ILE . . . . . 0.416 ' HB ' ' HG ' ' A' ' 691' ' ' LEU . 5.2 mp -113.16 111.41 50.33 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.208 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.73 153.01 53.75 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.797 2.331 . . . . 0.0 113.33 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 706' ' ' LEU . . . . . 0.858 HD23 HG23 ' A' ' 708' ' ' ILE . 90.8 mt -105.25 150.27 38.68 Favored Pre-proline 0 N--CA 1.465 0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.424 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 707' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.08 156.59 99.82 Favored 'Cis proline' 0 C--N 1.353 0.776 0 C-N-CA 124.001 -1.25 . . . . 0.0 112.599 -0.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 708' ' ' ILE . . . . . 0.858 HG23 HD23 ' A' ' 706' ' ' LEU . 33.9 pt -108.07 157.0 8.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.223 0.535 . . . . 0.0 111.834 -179.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -112.49 148.12 38.52 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 177.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -52.16 -50.92 12.37 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.393 2.062 . . . . 0.0 113.425 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -67.39 -41.48 84.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.235 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 68.9 m -62.24 -47.91 82.29 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.688 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 713' ' ' PHE . . . . . 0.545 ' HE1' HD11 ' A' ' 691' ' ' LEU . 80.9 t80 -60.33 -50.03 75.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.261 179.211 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 63.4 tp -62.83 -45.75 91.15 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -178.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -64.88 -41.1 95.91 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 121.12 -0.232 . . . . 0.0 111.519 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -63.99 -42.74 97.09 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.731 0.3 . . . . 0.0 110.606 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 717' ' ' VAL . . . . . . . . . . . . . 61.8 t -66.44 -43.87 90.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.641 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 92.8 m -60.34 -45.76 92.3 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.465 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 25.3 mmt -62.14 -41.32 98.17 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.729 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 720' ' ' GLY . . . . . 0.411 ' CA ' HH12 ' A' ' 702' ' ' ARG . . . -65.74 -38.69 94.71 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.271 178.114 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 721' ' ' LEU . . . . . 0.591 HD13 HD12 ' A' ' 724' ' ' LEU . 1.0 OUTLIER -66.86 -14.66 62.96 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 -178.758 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 81.9 p -64.7 -26.43 68.37 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.843 0.354 . . . . 0.0 111.249 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 723' ' ' SER . . . . . 0.494 ' OG ' ' HE3' ' A' ' 687' ' ' LYS . 89.3 p -71.15 -16.31 62.53 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.309 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 724' ' ' LEU . . . . . 0.591 HD12 HD13 ' A' ' 721' ' ' LEU . 91.5 mt -97.31 7.75 45.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.619 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . 74.17 -172.68 0.12 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.704 0.802 . . . . 0.0 111.276 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 67.4 p -127.83 160.13 32.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.274 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 93.5 p -145.84 162.56 37.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.52 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -101.21 133.85 45.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.033 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.434 -0.793 . . . . 0.0 111.361 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 61.1 mtt . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 120.93 0.395 . . . . 0.0 110.759 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.15 83.87 64.89 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.372 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -60.75 145.09 99.49 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.02 2.48 . . . . 0.0 112.444 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.582 ' HG ' HG21 ' A' ' 635' ' ' THR . 57.7 tp -97.19 119.68 36.15 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 17.1 mtt85 -131.73 -119.27 0.21 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.781 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.37 39.21 12.4 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.509 0.724 . . . . 0.0 112.729 179.042 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.498 HG21 ' HB ' ' A' ' 634' ' ' THR . 65.8 p -85.12 159.3 20.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.784 0.326 . . . . 0.0 110.701 178.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.51 143.24 28.42 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.575 HG12 ' HB3' ' B' ' 41' ' ' ALA . 23.0 m -128.75 139.0 53.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 121.224 0.535 . . . . 0.0 112.319 -178.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 85.2 mt -115.76 141.11 48.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.544 178.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.812 ' HB2' ' HB3' ' B' ' 66' ' ' ALA . 35.4 mmtp -101.75 127.51 48.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.212 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' B' ' 44' ' ' VAL . 0.4 OUTLIER -116.99 110.91 18.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.891 0.377 . . . . 0.0 110.109 179.306 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 13' ' ' TYR . . . . . 0.517 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 91.2 m-85 -99.56 131.28 45.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.756 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 18.0 m -135.21 167.4 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.046 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.13 114.89 17.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.202 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.24 -176.35 54.69 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.474 178.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 34.2 p-10 -108.88 29.33 7.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.977 0.417 . . . . 0.0 110.756 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 67.4 p -68.86 156.87 90.36 Favored Pre-proline 0 C--O 1.235 0.333 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.521 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -54.48 -35.98 86.93 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 123.196 2.597 . . . . 0.0 113.254 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -60.23 -43.12 96.32 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.741 0.305 . . . . 0.0 110.844 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 73.1 m -69.72 -40.65 76.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.059 0.457 . . . . 0.0 110.645 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.573 HG13 ' HB2' ' A' ' 653' ' ' ALA . 68.3 t -65.81 -47.52 85.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.97 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.55 -35.97 81.53 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.251 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.47 -41.09 88.92 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.575 0.226 . . . . 0.0 110.895 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.458 HD22 HD11 ' A' ' 654' ' ' LEU . 80.6 mt -62.35 -42.92 99.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.98 178.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.79 -40.58 95.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.074 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 90.8 m -63.59 -46.04 87.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.49 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.32 -38.66 68.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.669 -179.185 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.23 -42.37 98.49 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -63.25 -41.67 99.09 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.773 HD11 ' HG3' ' B' ' 83' ' ' ARG . 96.4 mt -70.33 -43.21 78.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 121.029 0.442 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.459 HD13 HD21 ' B' ' 42' ' ' LEU . 0.5 OUTLIER -66.63 -37.98 85.96 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.922 -179.575 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.5 -39.24 86.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 112.119 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -89.84 -46.35 8.63 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -178.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -95.31 -14.46 23.91 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -176.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -129.57 33.48 4.47 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -178.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 9.0 ptmm? -76.98 130.48 37.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.027 0.441 . . . . 0.0 112.087 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.446 ' HA2' ' O ' ' A' ' 634' ' ' THR . . . 83.11 1.44 90.56 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 114.756 0.662 . . . . 0.0 114.756 178.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 5.1 m -128.59 -28.78 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 118.049 0.925 . . . . 0.0 113.3 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -124.59 139.41 53.9 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -178.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.575 ' HB3' HG12 ' B' ' 9' ' ' VAL . . . -119.09 154.24 33.51 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.287 178.19 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.459 HD21 HD13 ' B' ' 32' ' ' LEU . 86.3 mt -117.15 145.56 43.75 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -178.064 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.452 ' HG2' ' HB3' ' A' ' 642' ' ' TRP . 62.6 mttp -130.32 136.24 48.92 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.188 -0.914 . . . . 0.0 108.824 178.003 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.432 ' O ' HG13 ' A' ' 644' ' ' VAL . 59.4 t -122.14 127.9 75.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -178.309 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.3 mp -124.67 135.15 64.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.421 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -94.26 112.17 23.95 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 35.3 m -64.94 -29.38 47.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -178.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 90.1 mt -68.81 -38.11 79.68 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -70.39 -39.48 74.49 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.541 ' OD1' ' HG ' ' B' ' 53' ' ' LEU . 17.6 t-20 -137.01 92.5 14.1 Favored Pre-proline 0 N--CA 1.45 -0.441 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.86 -23.47 74.29 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 122.703 2.269 . . . . 0.0 112.166 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.538 ' HB3' ' OD1' ' B' ' 50' ' ' ASN . 56.8 tt0 -61.12 -43.18 99.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.32 179.008 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.541 ' HG ' ' OD1' ' B' ' 50' ' ' ASN . 95.9 mt -62.75 -41.59 99.28 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.96 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.81 -40.89 95.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.822 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.62 -37.46 86.66 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.14 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -66.65 -38.43 86.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.415 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -96.85 7.95 45.46 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 64.4 mttp 57.34 50.84 10.8 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 47.7 mm -97.14 116.62 39.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.443 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 89.5 mt -108.21 -13.7 14.86 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -148.74 151.44 34.85 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 122.433 -0.167 . . . . 0.0 111.325 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' THR . . . . . 0.407 ' HA ' ' C ' ' B' ' 63' ' ' PRO . 67.8 p -136.02 155.13 77.87 Favored Pre-proline 0 N--CA 1.464 0.265 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.717 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' PRO . . . . . 0.545 ' HB2' HD12 ' B' ' 80' ' ' LEU . 27.6 Cg_exo -66.08 147.48 74.33 Favored 'Cis proline' 0 C--N 1.354 0.837 0 C-N-CA 124.479 -1.05 . . . . 0.0 113.064 -1.359 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.31 126.95 40.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.295 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 61.3 tp -103.53 117.57 34.75 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ALA . . . . . 0.812 ' HB3' ' HB2' ' B' ' 11' ' ' LYS . . . -114.86 138.02 51.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.094 -178.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.506 ' HB3' ' H ' ' B' ' 74' ' ' ARG . 60.0 tttp -104.64 119.33 38.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.641 178.534 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.564 HG12 ' HG ' ' B' ' 69' ' ' LEU . 48.2 t -102.69 -57.88 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.735 0.302 . . . . 0.0 111.473 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.564 ' HG ' HG12 ' B' ' 68' ' ' VAL . 75.7 mt -131.79 145.06 55.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.03 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' B' ' 71' ' ' PRO . 90.0 Cg_endo -83.75 148.13 57.77 Favored 'Cis proline' 0 C--N 1.35 0.613 0 C-N-CA 123.548 -1.438 . . . . 0.0 112.113 -2.187 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' PRO . . . . . 0.471 ' HA ' ' C ' ' B' ' 72' ' ' PRO . 22.2 Cg_exo -66.38 164.27 29.04 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.784 2.323 . . . . 0.0 111.914 178.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' PRO . . . . . 0.471 ' C ' ' HA ' ' B' ' 71' ' ' PRO . 31.3 Cg_exo -62.18 149.57 59.75 Favored 'Cis proline' 0 C--N 1.355 0.875 0 C-N-CA 125.072 -0.803 . . . . 0.0 114.109 0.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 27.6 m -79.97 146.8 7.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.031 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.506 ' H ' ' HB3' ' B' ' 67' ' ' LYS . 83.9 mtp180 -134.8 151.85 51.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.796 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 28.5 mmt85 -123.98 129.67 51.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.326 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 83.2 mt -119.44 119.32 60.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.995 0.426 . . . . 0.0 110.521 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 82.2 mt -120.78 125.01 73.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.93 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 168.85 -166.52 39.73 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.378 -0.915 . . . . 0.0 112.397 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -84.59 107.15 16.66 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.545 HD12 ' HB2' ' B' ' 63' ' ' PRO . 98.8 mt -85.72 -4.94 59.3 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 84.2 p -75.72 -13.65 60.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.03 0.443 . . . . 0.0 110.428 178.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -91.35 109.18 20.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.918 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' ARG . . . . . 0.773 ' HG3' HD11 ' B' ' 31' ' ' ILE . 44.0 ttm180 -60.7 -37.75 82.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.752 -179.23 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -59.03 -47.49 85.02 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 120.712 0.291 . . . . 0.0 111.031 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 5.3 ttmm -66.74 -43.41 84.23 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.955 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 79.0 t -61.58 -42.45 94.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.804 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.509 ' O ' ' HG2' ' B' ' 91' ' ' ARG . 64.3 tp -60.14 -45.18 93.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.306 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.11 -47.24 94.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.37 -41.86 98.82 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.242 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 6.7 mp -70.07 -37.04 75.38 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.509 ' HG2' ' O ' ' B' ' 87' ' ' LEU . 22.3 mmt85 -62.35 -38.19 88.56 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.671 0.272 . . . . 0.0 110.684 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.4 -38.52 89.98 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.358 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.08 -38.93 93.13 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.772 179.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.3 94.81 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.389 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.01 -41.33 99.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.651 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -64.79 -41.87 95.51 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.971 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 19.4 tt -75.37 -30.17 22.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 111.53 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.9 -10.47 86.16 Favored Glycine 0 C--N 1.334 0.419 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.998 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -85.34 72.54 10.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.939 0.399 . . . . 0.0 110.672 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -137.14 128.9 28.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.554 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -102.89 120.01 39.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.197 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -63.62 -45.57 89.68 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.731 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -161.56 159.99 28.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.244 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -86.37 179.24 6.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.743 0.306 . . . . 0.0 110.787 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -157.69 160.07 37.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.182 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 64.7 tttm . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.5 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 121.043 0.449 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . 125.57 141.15 5.52 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.452 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 24.7 tpp180 -81.89 124.78 30.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.067 0.46 . . . . 0.0 111.254 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.605 ' HB ' HG22 ' A' ' 640' ' ' VAL . 20.9 mm -113.23 121.79 66.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.67 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 617' ' ' VAL . . . . . 0.539 HG23 ' HB3' ' A' ' 656' ' ' PRO . 81.0 t -120.79 125.22 73.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.072 0.463 . . . . 0.0 111.061 179.201 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.43 ' HB3' ' CE3' ' A' ' 642' ' ' TRP . 0.3 OUTLIER -111.57 130.11 55.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.325 179.132 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 619' ' ' VAL . . . . . 0.487 ' CG2' HD21 ' A' ' 651' ' ' LEU . 54.6 t -111.77 113.48 44.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.87 0.367 . . . . 0.0 111.239 -178.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 620' ' ' SER . . . . . 0.583 ' HB3' ' CH2' ' A' ' 642' ' ' TRP . 8.0 t -175.54 179.45 1.44 Allowed 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.543 179.102 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 621' ' ' GLU . . . . . 0.542 ' HG2' HG13 ' A' ' 644' ' ' VAL . 97.9 mt-10 -117.2 4.74 12.65 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 120.581 0.229 . . . . 0.0 111.372 178.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -85.61 104.99 15.86 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.133 0.492 . . . . 0.0 111.101 -178.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.67 -37.95 89.28 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.872 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -60.82 -42.43 97.68 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.739 0.304 . . . . 0.0 111.526 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 87.9 m -65.22 -41.92 93.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.212 0.53 . . . . 0.0 110.032 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 45.3 t -60.96 -47.36 86.77 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.23 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 88.9 m -61.12 -47.58 85.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.63 -178.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 65.9 tp -64.31 -50.73 66.69 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 629' ' ' ILE . . . . . 0.441 ' HA ' HD12 ' A' ' 632' ' ' ILE . 60.1 mt -68.22 -37.7 78.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -178.204 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 76.4 m -58.93 -42.84 90.68 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 120.162 -0.615 . . . . 0.0 109.927 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 95.4 p -68.2 -34.7 76.75 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.208 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 632' ' ' ILE . . . . . 0.441 HD12 ' HA ' ' A' ' 629' ' ' ILE . 75.9 mt -62.03 -50.13 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 633' ' ' LEU . . . . . 0.601 ' HB2' HG21 ' A' ' 640' ' ' VAL . 62.0 mt -87.7 -40.02 14.49 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -178.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 634' ' ' THR . . . . . 0.518 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 87.0 m -64.05 -44.46 92.39 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -177.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 635' ' ' THR . . . . . . . . . . . . . 18.1 m -60.84 -36.15 78.4 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.984 0.421 . . . . 0.0 110.898 -179.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -68.5 -8.09 38.05 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.131 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 107.82 8.98 29.26 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.499 -0.858 . . . . 0.0 113.708 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 638' ' ' TYR . . . . . 0.518 ' O ' ' HA ' ' A' ' 634' ' ' THR . 91.3 m-85 -95.4 147.99 22.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 117.029 0.415 . . . . 0.0 110.897 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.57 100.88 13.07 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 640' ' ' VAL . . . . . 0.605 HG22 ' HB ' ' A' ' 616' ' ' ILE . 60.1 t -104.31 129.22 56.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -177.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 641' ' ' ILE . . . . . 0.758 HG21 HD13 ' A' ' 654' ' ' LEU . 79.9 mt -122.64 127.77 75.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.591 177.476 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 642' ' ' TRP . . . . . 0.583 ' CH2' ' HB3' ' A' ' 620' ' ' SER . 53.1 t-105 -99.29 120.87 40.27 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.019 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 643' ' ' LEU . . . . . 0.515 HD12 HD23 ' A' ' 651' ' ' LEU . 84.3 mt -118.26 140.04 50.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.935 0.398 . . . . 0.0 111.158 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 644' ' ' VAL . . . . . 0.542 HG13 ' HG2' ' A' ' 621' ' ' GLU . 98.5 t -75.26 137.51 22.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.418 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -64.56 161.88 16.59 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 103.35 -18.32 48.73 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-N 114.903 -1.044 . . . . 0.0 114.777 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 50.1 mp0 -115.6 107.23 14.86 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.426 1.113 . . . . 0.0 113.114 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 95.5 t -72.43 -39.77 63.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.587 177.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -58.25 -33.69 69.65 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.178 179.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -61.5 -40.6 95.19 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.515 HD23 HD12 ' A' ' 643' ' ' LEU . 94.2 mt -67.1 -39.68 86.76 Favored 'General case' 0 C--O 1.226 -0.138 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.63 179.008 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.529 HD11 ' HG3' ' A' ' 680' ' ' ARG . 9.0 mp -65.56 -39.38 91.63 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.345 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 653' ' ' ALA . . . . . 0.558 ' HB2' HG13 ' B' ' 22' ' ' VAL . . . -59.31 -41.27 88.66 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.632 179.473 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 654' ' ' LEU . . . . . 0.758 HD13 HG21 ' A' ' 641' ' ' ILE . 91.2 mt -110.12 29.93 7.2 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.839 -179.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 655' ' ' THR . . . . . 0.424 HG23 ' HA ' ' A' ' 652' ' ' LEU . 0.0 OUTLIER -31.5 102.1 0.19 Allowed Pre-proline 0 N--CA 1.478 0.943 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -178.103 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 656' ' ' PRO . . . . . 0.539 ' HB3' HG23 ' A' ' 617' ' ' VAL . 41.8 Cg_endo -88.41 176.96 3.42 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.929 3.086 . . . . 0.0 113.118 179.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.438 ' O ' ' HA ' ' A' ' 686' ' ' LEU . 46.4 pt -85.4 -18.36 9.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.352 0.596 . . . . 0.0 109.454 177.509 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -151.69 143.22 23.53 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.276 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.6 HG23 HD11 ' A' ' 686' ' ' LEU . 67.5 t -117.29 126.17 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 110.286 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 8.8 mp -108.62 124.74 50.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.989 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -109.03 125.54 52.19 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -109.13 126.72 53.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.981 0.42 . . . . 0.0 111.811 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 663' ' ' GLU . . . . . 0.44 ' OE2' HG21 ' A' ' 670' ' ' VAL . 70.9 mm-40 -82.59 154.05 68.29 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.476 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 664' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -81.9 157.91 80.25 Favored 'Cis proline' 0 C--N 1.348 0.528 0 C-N-CA 123.894 -1.294 . . . . 0.0 113.242 -0.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -99.78 100.82 11.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.158 178.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 78.6 p -66.04 -38.98 89.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 112.02 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -129.01 134.79 48.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.893 0.378 . . . . 0.0 111.31 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 90.79 151.77 26.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.905 -0.664 . . . . 0.0 113.108 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -95.95 124.66 40.06 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 670' ' ' VAL . . . . . 0.44 HG21 ' OE2' ' A' ' 663' ' ' GLU . 70.8 t -59.45 -46.13 93.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -178.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -62.83 -40.79 98.51 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.555 0.217 . . . . 0.0 111.31 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -64.0 -42.91 97.01 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.942 0.401 . . . . 0.0 110.499 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.46 -44.55 96.15 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.66 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 674' ' ' VAL . . . . . 0.437 HG22 HG21 ' A' ' 688' ' ' ILE . 65.9 t -61.27 -44.77 99.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.006 179.094 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 675' ' ' ASP . . . . . 0.558 ' O ' ' HG2' ' A' ' 678' ' ' ARG . 38.0 t70 -60.55 -43.16 97.52 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.087 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 676' ' ' GLN . . . . . 0.491 ' O ' ' HG2' ' A' ' 680' ' ' ARG . 97.4 mm-40 -64.37 -41.45 96.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.651 0.263 . . . . 0.0 111.088 179.304 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 83.7 mt -65.44 -40.3 93.1 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 678' ' ' ARG . . . . . 0.558 ' HG2' ' O ' ' A' ' 675' ' ' ASP . 9.1 ptm180 -69.27 -18.6 63.88 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.737 0.303 . . . . 0.0 111.169 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -85.73 -13.08 49.48 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.729 0.299 . . . . 0.0 110.569 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 680' ' ' ARG . . . . . 0.529 ' HG3' HD11 ' A' ' 652' ' ' LEU . 29.8 mmm180 -96.04 -44.77 7.19 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.049 0.452 . . . . 0.0 110.422 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 72.6 m -130.44 148.36 52.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.538 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 68.0 p -74.61 157.74 85.72 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.937 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -55.2 -38.18 93.79 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 123.008 2.472 . . . . 0.0 113.86 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 21.5 pm0 -72.15 -22.51 61.3 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 121.17 -0.212 . . . . 0.0 111.467 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -89.69 -35.52 15.75 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.601 0.239 . . . . 0.0 111.603 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 686' ' ' LEU . . . . . 0.6 HD11 HG23 ' A' ' 659' ' ' VAL . 0.2 OUTLIER -140.77 133.91 29.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.859 0.361 . . . . 0.0 110.687 -179.767 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -109.03 149.38 29.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.778 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 688' ' ' ILE . . . . . 0.437 HG21 HG22 ' A' ' 674' ' ' VAL . 50.9 mm -113.37 127.57 70.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.767 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -125.43 142.99 51.2 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 85.4 mt -122.41 130.15 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.122 0.487 . . . . 0.0 111.461 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 691' ' ' LEU . . . . . 0.44 ' HG ' ' HB ' ' A' ' 704' ' ' ILE . 5.4 mp -106.16 131.73 53.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.999 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 692' ' ' GLY . . . . . 0.532 ' HA2' ' HB2' ' A' ' 706' ' ' LEU . . . 100.8 -18.27 55.18 Favored Glycine 0 CA--C 1.517 0.187 0 C-N-CA 120.902 -0.666 . . . . 0.0 114.55 178.299 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 88.6 p -139.11 163.06 33.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 117.729 0.765 . . . . 0.0 111.254 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 694' ' ' LYS . . . . . 0.465 ' HA ' ' CD2' ' A' ' 703' ' ' TYR . 21.9 ptmt -146.5 160.08 42.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.191 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . 176.09 -170.61 43.54 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.562 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -103.57 21.87 15.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.744 0.307 . . . . 0.0 111.095 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -72.02 141.73 49.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.023 0.44 . . . . 0.0 111.127 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -86.18 158.48 19.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.017 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 95.53 -7.6 68.54 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.865 -0.684 . . . . 0.0 112.697 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 60.0 t -111.93 122.75 66.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -67.22 -43.02 83.05 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.135 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -160.26 150.38 18.21 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.759 0.314 . . . . 0.0 111.326 -179.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 703' ' ' TYR . . . . . 0.465 ' CD2' ' HA ' ' A' ' 694' ' ' LYS . 98.0 m-85 -110.18 136.89 48.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.554 179.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 704' ' ' ILE . . . . . 0.44 ' HB ' ' HG ' ' A' ' 691' ' ' LEU . 4.7 mp -112.99 105.79 55.49 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-O 120.663 0.268 . . . . 0.0 110.619 179.204 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 705' ' ' PRO . . . . . 0.477 ' O ' HG22 ' A' ' 708' ' ' ILE . 34.6 Cg_exo -61.53 146.26 97.14 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 123.484 2.79 . . . . 0.0 113.706 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 706' ' ' LEU . . . . . 0.71 HD12 ' HA ' ' A' ' 707' ' ' PRO . 30.1 tp -107.55 141.92 24.06 Favored Pre-proline 0 CA--C 1.535 0.367 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 707' ' ' PRO . . . . . 0.71 ' HA ' HD12 ' A' ' 706' ' ' LEU . 59.9 Cg_endo -70.46 153.21 94.65 Favored 'Cis proline' 0 C--N 1.355 0.902 0 C-N-CA 124.323 -1.115 . . . . 0.0 113.678 0.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 708' ' ' ILE . . . . . 0.477 HG22 ' O ' ' A' ' 705' ' ' PRO . 24.8 pt -107.4 155.51 8.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.987 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -109.33 146.73 34.54 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -52.95 -52.02 9.77 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.488 2.125 . . . . 0.0 113.625 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 50.7 mp0 -67.22 -40.61 86.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.318 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 69.1 m -62.89 -46.04 89.71 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.217 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 713' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -59.79 -49.94 75.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.349 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 2.1 tt -62.6 -43.16 99.51 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.978 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -63.66 -41.98 98.15 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -65.87 -41.94 90.99 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 121.094 -0.243 . . . . 0.0 110.958 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 717' ' ' VAL . . . . . . . . . . . . . 65.4 t -65.12 -45.19 94.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.615 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 90.2 m -60.85 -47.62 85.55 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.332 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 98.2 mtp -64.69 -40.11 94.82 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.329 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -63.45 -39.39 97.66 Favored Glycine 0 CA--C 1.521 0.425 0 C-N-CA 120.87 -0.681 . . . . 0.0 113.056 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.86 -6.19 49.59 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 -178.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 74.2 p -65.75 -31.32 72.25 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 118.133 0.424 . . . . 0.0 111.258 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 73.5 m -66.24 -39.73 89.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.56 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 724' ' ' LEU . . . . . . . . . . . . . 2.1 tt -67.39 -44.19 79.5 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.115 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -153.7 146.65 24.47 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.965 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 15.0 t -150.53 157.28 42.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.698 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 60.7 m -129.34 148.2 51.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.68 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -147.09 153.36 39.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.675 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 20.0 mp0 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.145 -0.931 . . . . 0.0 111.013 179.932 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 121.029 0.442 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ALA . . . . . 0.682 ' HB1' ' HB2' ' B' ' 5' ' ' ARG . . . -130.19 79.57 72.48 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.146 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -57.18 -39.78 87.86 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 123.051 2.501 . . . . 0.0 113.173 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.8 tp -152.17 55.57 0.82 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.948 0.404 . . . . 0.0 110.239 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.682 ' HB2' ' HB1' ' B' ' 2' ' ' ALA . 2.2 mpt_? -115.9 80.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.364 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -135.44 79.85 1.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.701 0.286 . . . . 0.0 111.257 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 68.8 p -132.81 158.41 42.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.781 0.324 . . . . 0.0 111.471 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.26 139.58 39.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.998 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 65.0 t -114.01 119.74 61.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.012 0.434 . . . . 0.0 111.559 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.693 ' HG ' HD21 ' B' ' 65' ' ' LEU . 6.1 mp -101.19 120.02 39.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.921 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.503 ' HG2' ' HD2' ' B' ' 43' ' ' LYS . 59.9 mtpt -102.2 109.35 21.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.711 0.291 . . . . 0.0 111.212 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.484 HD11 ' HB2' ' B' ' 63' ' ' PRO . 61.6 tp -99.53 119.63 38.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.109 0.48 . . . . 0.0 111.21 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' TYR . . . . . 0.471 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 41.1 m-85 -98.66 129.52 45.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.23 178.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 32.6 m -133.62 168.42 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.256 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.7 101.46 7.74 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.198 -179.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.65 -165.89 50.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 121.019 -0.61 . . . . 0.0 113.347 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -105.27 32.75 4.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.882 0.372 . . . . 0.0 110.613 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 67.6 p -65.01 152.49 91.09 Favored Pre-proline 0 CA--C 1.532 0.275 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.519 -179.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -54.52 -38.33 90.18 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 123.165 2.577 . . . . 0.0 113.503 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -61.74 -40.03 93.66 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.845 0.355 . . . . 0.0 110.735 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 68.8 m -69.74 -40.76 75.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.202 179.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.558 HG13 ' HB2' ' A' ' 653' ' ' ALA . 60.9 t -65.0 -47.09 89.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.877 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -65.5 -37.01 85.56 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -179.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.38 -42.38 91.53 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 121.325 -0.15 . . . . 0.0 111.307 -179.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.449 ' HB3' HD21 ' A' ' 654' ' ' LEU . 73.6 mt -62.92 -40.77 98.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.307 178.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.89 -42.34 99.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.692 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 74.5 p -73.09 -40.02 65.36 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.742 0.306 . . . . 0.0 111.396 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.566 HD12 HD11 ' B' ' 90' ' ' LEU . 62.2 tp -63.49 -46.95 83.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.881 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.76 -41.11 96.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.72 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -61.98 -45.22 94.59 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.16 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.543 HD11 ' HG3' ' B' ' 83' ' ' ARG . 84.6 mt -63.88 -46.0 95.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -179.19 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.537 HD21 HD22 ' B' ' 90' ' ' LEU . 93.3 mt -69.77 -38.65 76.8 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -178.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -70.42 -17.77 63.01 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.893 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -96.93 -46.51 6.19 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -178.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -94.87 -47.59 6.38 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -176.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' PHE . . . . . 0.556 ' HD2' HG21 ' B' ' 39' ' ' VAL . 2.8 m-85 -130.68 64.67 1.55 Allowed 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -177.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -81.25 147.33 29.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.795 0.331 . . . . 0.0 110.99 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.3 -7.68 80.16 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.758 -0.734 . . . . 0.0 114.157 178.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.572 HG23 ' CD1' ' B' ' 40' ' ' TYR . 6.4 m -118.64 -21.52 4.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 117.823 0.811 . . . . 0.0 112.601 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' TYR . . . . . 0.572 ' CD1' HG23 ' B' ' 39' ' ' VAL . 92.8 m-85 -117.5 129.23 55.67 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.9 145.32 33.92 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 176.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.471 HD23 ' HB2' ' B' ' 10' ' ' LEU . 85.7 mt -118.21 142.12 47.8 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -177.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.503 ' HD2' ' HG2' ' B' ' 11' ' ' LYS . 16.5 ptpt -141.65 149.54 40.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.327 177.206 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 7.0 p -128.44 138.71 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.09 0.472 . . . . 0.0 111.354 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.0 mp -125.26 132.88 70.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.291 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -93.11 110.07 21.56 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 34.5 m -64.9 -26.87 41.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 90.4 mt -66.34 -39.05 88.96 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -70.62 -39.07 73.94 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.708 ' OD1' ' HG2' ' B' ' 52' ' ' GLN . 38.2 t-20 -141.73 93.17 7.71 Favored Pre-proline 0 C--N 1.328 -0.329 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -65.13 -23.65 60.19 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.018 2.479 . . . . 0.0 114.548 -178.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.708 ' HG2' ' OD1' ' B' ' 50' ' ' ASN . 18.0 pt20 -69.3 -24.82 63.99 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.353 -179.277 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 93.2 mt -63.9 -41.89 97.59 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.883 0.373 . . . . 0.0 110.359 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.32 92.93 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.492 178.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.94 -37.89 88.87 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.163 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' B' ' 52' ' ' GLN . 98.2 mt-10 -63.77 -39.04 93.3 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.553 -178.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -99.65 9.96 42.2 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 64.1 mttp 59.24 45.61 13.99 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 41.8 mm -100.13 113.1 34.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.092 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 90.0 mt -111.02 3.43 18.66 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -148.95 159.99 43.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.51 0.195 . . . . 0.0 111.312 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 63.3 p -140.95 148.28 51.54 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.744 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' PRO . . . . . 0.484 ' HB2' HD11 ' B' ' 12' ' ' LEU . 89.3 Cg_endo -79.63 144.69 71.73 Favored 'Cis proline' 0 C--N 1.35 0.616 0 C-N-CA 123.445 -1.481 . . . . 0.0 112.716 -1.558 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 88.4 m -129.14 131.53 47.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.993 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.693 HD21 ' HG ' ' B' ' 10' ' ' LEU . 3.7 tt -101.35 120.75 40.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.935 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ALA . . . . . 0.473 ' HB3' ' HB2' ' B' ' 11' ' ' LYS . . . -109.95 134.24 52.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.136 -179.204 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.42 ' O ' HG13 ' B' ' 73' ' ' VAL . 86.1 tttt -103.85 118.05 35.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.905 178.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.558 HG12 ' HG ' ' B' ' 69' ' ' LEU . 52.6 t -105.52 -60.76 2.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.822 179.668 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.558 ' HG ' HG12 ' B' ' 68' ' ' VAL . 92.2 mt -132.39 141.09 40.0 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.572 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.06 160.33 96.66 Favored 'Cis proline' 0 C--N 1.347 0.493 0 C-N-CA 123.589 -1.421 . . . . 0.0 112.271 -1.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.16 166.29 29.67 Favored 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 122.858 2.372 . . . . 0.0 112.272 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.37 161.42 94.56 Favored 'Cis proline' 0 C--N 1.354 0.818 0 C-N-CA 124.239 -1.15 . . . . 0.0 114.493 1.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.42 HG13 ' O ' ' B' ' 67' ' ' LYS . 85.6 t -79.86 122.64 35.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.099 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -133.09 153.17 51.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.993 -179.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 95.9 mtm-85 -124.48 134.39 53.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.463 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' ILE . . . . . 0.43 HD13 ' HB1' ' B' ' 89' ' ' ALA . 80.9 mt -116.7 119.77 62.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.312 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 81.7 mt -117.08 125.04 73.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.369 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 172.42 -171.82 44.52 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.137 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -87.99 104.32 16.53 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.0 mp -83.79 1.59 42.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.756 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 69.8 m -64.18 -32.26 73.78 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.065 0.459 . . . . 0.0 110.277 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -85.32 114.1 22.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.378 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' ARG . . . . . 0.543 ' HG3' HD11 ' B' ' 31' ' ' ILE . 61.4 ttp180 -60.27 -37.02 79.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.473 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.14 -44.14 92.05 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.699 0.285 . . . . 0.0 110.526 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -64.28 -41.24 97.0 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.14 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 83.3 t -61.09 -41.16 88.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.195 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 15.4 mt -60.08 -39.5 86.29 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.367 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 93.9 mt -60.73 -48.43 88.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.744 0.307 . . . . 0.0 111.144 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' ALA . . . . . 0.43 ' HB1' HD13 ' B' ' 76' ' ' ILE . . . -65.59 -45.43 83.22 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.566 HD11 HD12 ' B' ' 28' ' ' LEU . 79.0 mt -70.58 -36.23 73.46 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -59.17 -44.88 92.15 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.908 0.385 . . . . 0.0 110.757 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 88.2 mt -64.32 -40.79 96.62 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.687 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.21 -40.35 94.01 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.404 ' O ' HG22 ' B' ' 97' ' ' ILE . . . -61.91 -40.9 97.06 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.549 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.85 -42.02 97.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.311 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.32 -41.24 94.22 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.056 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.404 HG22 ' O ' ' B' ' 94' ' ' ALA . 16.0 tt -71.92 -27.62 28.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-O 120.688 0.28 . . . . 0.0 111.41 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -62.22 -37.76 95.07 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 121.255 -0.498 . . . . 0.0 112.776 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -85.32 73.67 10.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.917 0.389 . . . . 0.0 110.706 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -131.27 124.81 31.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.463 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 101' ' ' LYS . . . . . 0.409 ' HB3' ' H ' ' B' ' 102' ' ' ASP . 26.3 mtpp 61.35 -162.91 0.27 Allowed 'General case' 0 N--CA 1.469 0.502 0 O-C-N 123.686 0.616 . . . . 0.0 111.517 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 102' ' ' ASP . . . . . 0.409 ' H ' ' HB3' ' B' ' 101' ' ' LYS . 37.6 t70 -93.32 105.39 17.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.835 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -89.0 99.25 12.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.845 0.355 . . . . 0.0 110.371 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -91.68 102.91 15.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.554 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -157.13 159.43 37.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.228 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 88.2 tttt . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.15 -0.928 . . . . 0.0 110.448 -179.941 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 121.024 0.44 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . -82.36 61.71 4.68 Favored Glycine 0 CA--C 1.517 0.179 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.622 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -91.84 150.71 20.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.08 0.467 . . . . 0.0 111.19 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.507 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 49.3 mm -123.43 132.68 70.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.866 -178.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 617' ' ' VAL . . . . . 0.451 HG13 HD23 ' A' ' 643' ' ' LEU . 75.9 t -107.16 124.76 63.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 121.174 0.511 . . . . 0.0 111.215 179.233 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -102.24 118.93 37.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.635 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 619' ' ' VAL . . . . . 0.423 ' HB ' HD23 ' A' ' 661' ' ' LEU . 60.6 t -114.71 109.07 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.032 0.444 . . . . 0.0 110.637 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 34.2 t -165.72 147.98 7.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.86 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -84.52 -9.74 58.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.738 0.304 . . . . 0.0 110.675 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -87.6 106.09 17.77 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.942 0.401 . . . . 0.0 110.074 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 51.1 mp0 -63.76 -38.94 92.99 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.813 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -60.92 -45.29 95.25 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -178.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 88.8 m -67.1 -42.57 84.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.098 0.475 . . . . 0.0 110.133 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 70.1 m -62.49 -42.51 99.54 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.568 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 89.3 m -63.46 -43.96 95.86 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.898 0.38 . . . . 0.0 110.757 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 1.2 tt -62.79 -46.71 86.74 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.872 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 629' ' ' ILE . . . . . . . . . . . . . 36.0 mm -63.2 -44.04 99.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.764 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 99.0 m -61.67 -42.67 99.24 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.279 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 70.7 m -63.73 -41.4 98.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.579 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 632' ' ' ILE . . . . . 0.478 HD13 ' HA ' ' A' ' 710' ' ' PRO . 97.7 mt -62.43 -47.68 91.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -179.175 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 633' ' ' LEU . . . . . 0.744 HD11 HG11 ' A' ' 717' ' ' VAL . 2.3 mp -80.49 -38.93 28.92 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -178.461 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 634' ' ' THR . . . . . 0.728 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 93.7 m -63.66 -43.06 97.86 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -178.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 635' ' ' THR . . . . . 0.847 HG21 ' HA ' ' B' ' 4' ' ' LEU . 32.9 m -62.0 -37.83 86.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.044 0.45 . . . . 0.0 110.736 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -68.51 -6.48 25.42 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 108.51 5.01 32.25 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 120.544 -0.836 . . . . 0.0 113.929 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 638' ' ' TYR . . . . . 0.728 ' O ' ' HA ' ' A' ' 634' ' ' THR . 83.1 m-85 -99.83 155.31 17.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.979 0.389 . . . . 0.0 110.337 179.06 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -104.24 114.94 29.53 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 640' ' ' VAL . . . . . 0.507 ' HA ' ' O ' ' A' ' 616' ' ' ILE . 61.5 t -108.53 127.99 64.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.123 0.487 . . . . 0.0 111.747 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 641' ' ' ILE . . . . . 0.683 HG21 HD13 ' A' ' 654' ' ' LEU . 74.2 mt -117.51 126.24 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.412 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 642' ' ' TRP . . . . . 0.541 ' HB3' ' HG3' ' B' ' 43' ' ' LYS . 63.5 t90 -92.09 118.17 30.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.169 0.509 . . . . 0.0 110.659 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 643' ' ' LEU . . . . . 0.526 HD13 ' HB ' ' B' ' 44' ' ' VAL . 0.6 OUTLIER -109.01 140.04 43.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.026 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 9.8 m -75.3 142.85 14.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 645' ' ' ASP . . . . . 0.46 ' OD1' HD11 ' A' ' 673' ' ' LEU . 9.6 t0 -65.35 150.32 48.49 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -177.372 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 95.64 -6.43 67.66 Favored Glycine 0 C--N 1.337 0.622 0 CA-C-N 115.54 -0.754 . . . . 0.0 114.328 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 647' ' ' GLU . . . . . 0.433 ' HB3' ' HD2' ' A' ' 650' ' ' ARG . 81.2 mm-40 -114.07 95.47 5.31 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 117.85 0.825 . . . . 0.0 113.175 -179.092 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 73.6 t -70.73 -39.12 75.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.303 177.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -58.3 -37.74 75.64 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.299 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 650' ' ' ARG . . . . . 0.487 HH21 HG22 ' B' ' 22' ' ' VAL . 0.0 OUTLIER -64.18 -38.19 90.18 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 177.862 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.22 -40.39 86.4 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.124 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.741 ' HA ' HG23 ' A' ' 655' ' ' THR . 88.7 mt -66.14 -40.18 90.4 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.375 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -60.21 -40.48 90.27 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.188 0.518 . . . . 0.0 111.234 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 654' ' ' LEU . . . . . 0.683 HD13 HG21 ' A' ' 641' ' ' ILE . 88.8 mt -110.21 30.16 7.01 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.347 -179.035 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 655' ' ' THR . . . . . 0.741 HG23 ' HA ' ' A' ' 652' ' ' LEU . 0.7 OUTLIER -40.29 104.02 0.31 Allowed Pre-proline 0 N--CA 1.477 0.924 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -178.633 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -88.29 -178.78 2.19 Favored 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 123.808 3.006 . . . . 0.0 112.59 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.534 ' O ' ' HA ' ' A' ' 686' ' ' LEU . 44.9 pt -81.45 -24.17 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.247 0.546 . . . . 0.0 109.762 177.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -152.65 150.7 29.76 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.574 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.612 HG13 HD11 ' A' ' 686' ' ' LEU . 18.6 m -122.49 147.39 26.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.858 0.361 . . . . 0.0 110.839 179.666 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.802 HD23 ' HB2' ' A' ' 689' ' ' PHE . 84.8 mt -121.51 122.99 40.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.744 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 661' ' ' LEU . . . . . 0.423 HD23 ' HB ' ' A' ' 619' ' ' VAL . 77.9 mt -108.87 124.02 49.98 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -123.25 137.34 54.89 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 663' ' ' GLU . . . . . 0.508 ' HB2' ' HA ' ' A' ' 664' ' ' PRO . 22.3 pt-20 -77.57 160.34 75.06 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.446 179.024 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 664' ' ' PRO . . . . . 0.508 ' HA ' ' HB2' ' A' ' 663' ' ' GLU . 91.9 Cg_endo -77.64 155.47 95.53 Favored 'Cis proline' 0 C--N 1.351 0.681 0 C-N-CA 124.209 -1.163 . . . . 0.0 113.267 -0.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -115.08 80.21 1.39 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.915 179.02 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 71.1 m -62.93 -40.97 99.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.37 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -124.31 128.57 49.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.865 0.364 . . . . 0.0 111.177 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 97.89 143.46 14.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.942 -0.646 . . . . 0.0 113.036 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -96.3 117.85 31.65 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 670' ' ' VAL . . . . . 0.435 ' O ' HG23 ' A' ' 674' ' ' VAL . 32.9 m -61.85 -33.09 56.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 C-N-CA 121.276 -0.17 . . . . 0.0 111.436 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -64.67 -39.32 93.48 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.972 0.415 . . . . 0.0 109.988 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -64.43 -41.45 96.58 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.791 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 673' ' ' LEU . . . . . 0.46 HD11 ' OD1' ' A' ' 645' ' ' ASP . 87.1 mt -62.22 -42.55 99.4 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.353 179.217 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 674' ' ' VAL . . . . . 0.818 HG22 HG21 ' A' ' 688' ' ' ILE . 56.4 t -61.58 -47.15 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.247 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -62.46 -44.15 97.1 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.778 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 676' ' ' GLN . . . . . 0.441 ' O ' ' HD3' ' A' ' 680' ' ' ARG . 97.1 mm-40 -64.34 -42.11 96.42 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.627 0.251 . . . . 0.0 111.622 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.7 -38.15 88.41 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 678' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 674' ' ' VAL . 77.6 mtm180 -62.55 -38.16 88.96 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -84.45 -11.2 56.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.07 0.462 . . . . 0.0 111.026 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 680' ' ' ARG . . . . . 0.504 ' HG2' HD21 ' A' ' 652' ' ' LEU . 8.4 mpt_? -92.28 -47.23 7.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.274 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 72.9 m -127.89 150.01 50.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.942 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 68.8 p -72.53 153.55 91.75 Favored Pre-proline 0 C--O 1.234 0.264 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.807 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -61.69 -28.3 82.17 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.519 2.146 . . . . 0.0 113.147 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -74.18 -21.36 59.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.892 0.377 . . . . 0.0 110.779 178.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -97.49 -36.73 10.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.079 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 686' ' ' LEU . . . . . 0.612 HD11 HG13 ' A' ' 659' ' ' VAL . 58.0 tp -138.53 126.7 22.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.092 0.473 . . . . 0.0 111.597 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 687' ' ' LYS . . . . . 0.64 ' HG3' HD21 ' A' ' 724' ' ' LEU . 68.5 mttm -111.18 148.96 31.64 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.169 178.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 688' ' ' ILE . . . . . 0.818 HG21 HG22 ' A' ' 674' ' ' VAL . 24.6 mm -105.55 124.39 60.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -178.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 689' ' ' PHE . . . . . 0.802 ' HB2' HD23 ' A' ' 660' ' ' LEU . 96.2 m-85 -125.43 141.7 51.91 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.767 -0.456 . . . . 0.0 109.767 178.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 82.6 mt -125.37 130.9 72.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 121.107 0.48 . . . . 0.0 111.499 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 691' ' ' LEU . . . . . 0.571 HD11 ' HE1' ' A' ' 713' ' ' PHE . 4.8 mp -97.36 138.28 35.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.255 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 81.82 19.25 65.98 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.924 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 70.7 m -66.7 134.46 52.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.643 0.259 . . . . 0.0 111.446 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -67.66 -39.58 84.53 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.297 0.57 . . . . 0.0 109.873 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . -156.63 -171.84 23.27 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.676 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -69.79 132.37 45.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.681 0.277 . . . . 0.0 111.03 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -121.85 150.18 42.29 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.477 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -74.1 143.63 45.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.495 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 84.33 3.06 88.94 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.576 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 57.4 t -113.8 122.62 68.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -65.37 -45.11 85.39 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.688 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -157.6 146.4 19.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.177 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 56.2 p90 -123.47 148.92 45.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.911 0.386 . . . . 0.0 111.082 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 704' ' ' ILE . . . . . 0.484 HG22 HG22 ' A' ' 708' ' ' ILE . 4.9 mp -116.8 103.72 51.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.879 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -71.68 150.81 57.23 Favored 'Trans proline' 0 CA--C 1.534 0.498 0 C-N-CA 122.673 2.249 . . . . 0.0 113.543 -179.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 706' ' ' LEU . . . . . 0.863 HD23 HG23 ' A' ' 708' ' ' ILE . 75.7 mt -95.41 151.65 38.77 Favored Pre-proline 0 N--CA 1.465 0.3 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.634 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 707' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -70.61 149.62 90.95 Favored 'Cis proline' 0 C--N 1.352 0.74 0 C-N-CA 124.322 -1.116 . . . . 0.0 112.394 -1.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 708' ' ' ILE . . . . . 0.863 HG23 HD23 ' A' ' 706' ' ' LEU . 37.1 pt -107.72 153.4 9.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.0 0.429 . . . . 0.0 111.198 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -114.76 147.3 37.9 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 710' ' ' PRO . . . . . 0.478 ' HA ' HD13 ' A' ' 632' ' ' ILE . 87.1 Cg_exo -53.2 -50.5 13.78 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.437 2.092 . . . . 0.0 113.434 -179.201 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 50.9 mp0 -65.69 -40.32 92.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.159 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 70.3 m -64.45 -47.72 78.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.2 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 713' ' ' PHE . . . . . 0.571 ' HE1' HD11 ' A' ' 691' ' ' LEU . 73.7 t80 -60.32 -49.02 79.26 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.295 179.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 63.9 tp -60.81 -45.42 94.49 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -64.37 -42.35 96.23 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.686 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -67.1 -41.11 86.85 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 717' ' ' VAL . . . . . 0.744 HG11 HD11 ' A' ' 633' ' ' LEU . 7.4 p -73.0 -38.05 54.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.355 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 92.9 m -61.23 -45.33 94.98 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.48 0.181 . . . . 0.0 111.162 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 38.8 mmt -61.58 -40.85 96.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.44 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -64.5 -39.94 97.26 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.94 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 721' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 717' ' ' VAL . 97.9 mt -72.02 -21.59 61.52 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 122.576 0.35 . . . . 0.0 111.768 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 97.2 m -60.17 -42.05 94.15 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.574 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 75.0 m -62.92 -37.95 89.04 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.668 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 724' ' ' LEU . . . . . 0.64 HD21 ' HG3' ' A' ' 687' ' ' LYS . 55.4 mt -72.57 -85.34 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.475 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -165.95 158.64 14.97 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.47 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 60.47 67.63 0.82 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 123.444 0.465 . . . . 0.0 111.919 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 80.8 p -64.66 -34.1 77.49 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.282 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . 56.94 -114.55 0.83 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.783 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 9.7 mp0 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.884 -179.791 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 121.048 0.452 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.8 148.77 70.86 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.536 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -57.44 -38.73 93.38 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 122.844 2.363 . . . . 0.0 113.063 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.847 ' HA ' HG21 ' A' ' 635' ' ' THR . 1.2 mp -125.98 163.97 21.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.041 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 57.2 mmm-85 62.69 34.19 14.99 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.817 0.698 . . . . 0.0 111.596 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -139.88 90.13 2.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.932 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.423 HG21 ' HB ' ' A' ' 634' ' ' THR . 34.5 p -129.81 158.84 38.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.773 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.32 145.96 25.61 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.431 HG12 ' HE2' ' B' ' 43' ' ' LYS . 19.7 m -117.15 127.82 74.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.459 0.647 . . . . 0.0 112.234 -178.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.578 ' HG ' HD11 ' B' ' 65' ' ' LEU . 1.8 mp -105.49 126.31 51.98 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.789 179.284 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.693 ' HB2' ' HB3' ' B' ' 66' ' ' ALA . 35.4 mmtp -101.68 109.18 20.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.9 0.381 . . . . 0.0 111.053 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.49 HD22 ' HA ' ' B' ' 12' ' ' LEU . 0.5 OUTLIER -96.45 113.45 25.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.318 179.205 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -99.58 130.09 45.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.349 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.422 HG12 ' HB3' ' B' ' 63' ' ' PRO . 19.0 m -132.62 164.84 33.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.637 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.6 114.76 10.88 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 120.864 0.364 . . . . 0.0 111.666 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.02 -165.24 45.18 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 120.844 -0.693 . . . . 0.0 113.766 178.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -111.4 36.02 3.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.652 0.263 . . . . 0.0 111.276 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 59.8 p -72.57 145.86 87.93 Favored Pre-proline 0 C--N 1.325 -0.474 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.732 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -56.09 -38.07 95.4 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.164 2.576 . . . . 0.0 114.09 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -65.44 -33.89 77.01 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.812 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 71.9 m -72.86 -41.72 64.46 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.324 0.583 . . . . 0.0 110.208 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.487 HG22 HH21 ' A' ' 650' ' ' ARG . 75.8 t -65.63 -47.1 87.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.683 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 -69.17 -29.63 67.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.145 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.58 -41.75 86.45 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -178.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.409 ' HB3' HD21 ' A' ' 654' ' ' LEU . 78.7 mt -62.85 -41.45 99.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.757 0.313 . . . . 0.0 111.162 178.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -63.85 -40.91 97.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.953 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 85.8 m -69.51 -44.73 70.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.848 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.14 -43.04 93.16 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.98 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.52 -39.26 90.4 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.101 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ASN . . . . . 0.555 ' O ' ' HG2' ' B' ' 33' ' ' GLU . 27.7 t-20 -60.83 -43.0 98.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.68 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.559 HD11 HG13 ' B' ' 86' ' ' VAL . 97.4 mt -64.65 -44.09 96.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.324 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.492 ' HA ' ' HB2' ' B' ' 36' ' ' PHE . 3.9 mp -67.23 -38.64 85.56 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.632 -178.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' B' ' 30' ' ' ASN . 11.8 pt-20 -68.04 -19.86 64.93 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.388 0.885 . . . . 0.0 113.388 -178.102 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -98.92 -62.89 1.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 -177.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 49.8 mp0 -95.78 -15.85 22.29 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -176.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' PHE . . . . . 0.579 ' HE2' ' HB2' ' B' ' 94' ' ' ALA . 74.9 m-85 -118.03 21.59 12.71 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.458 -0.497 . . . . 0.0 112.078 -177.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -70.67 132.47 45.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.905 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.555 ' HA2' ' O ' ' A' ' 634' ' ' THR . . . 85.43 2.97 87.13 Favored Glycine 0 C--N 1.333 0.404 0 N-CA-C 114.566 0.586 . . . . 0.0 114.566 178.539 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.651 HG13 ' HD1' ' B' ' 40' ' ' TYR . 2.6 p -134.77 -26.06 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 117.789 0.795 . . . . 0.0 112.543 -179.638 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' TYR . . . . . 0.651 ' HD1' HG13 ' B' ' 39' ' ' VAL . 69.8 m-85 -120.8 137.27 54.61 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -179.014 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.58 154.0 27.87 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.365 177.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.537 ' HB3' HG23 ' A' ' 641' ' ' ILE . 0.3 OUTLIER -113.6 141.56 47.04 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -177.82 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.541 ' HG3' ' HB3' ' A' ' 642' ' ' TRP . 0.3 OUTLIER -130.32 137.84 50.15 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.512 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.526 ' HB ' HD13 ' A' ' 643' ' ' LEU . 48.8 t -120.03 122.73 69.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 120.727 -0.389 . . . . 0.0 112.04 -179.17 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.2 mp -126.9 135.11 64.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.418 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -93.23 114.79 27.36 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.937 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.48 HG22 ' HB2' ' B' ' 54' ' ' ALA . 53.5 t -61.03 -43.53 96.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -178.586 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.03 -40.7 96.6 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -177.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -70.39 -39.45 74.53 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 120.511 -0.476 . . . . 0.0 112.152 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.529 ' OD1' ' HB3' ' B' ' 52' ' ' GLN . 32.2 t-20 -134.77 90.19 23.48 Favored Pre-proline 0 C--N 1.328 -0.333 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.283 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' B' ' 50' ' ' ASN . 33.3 Cg_endo -63.5 -24.26 70.6 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.692 2.261 . . . . 0.0 112.41 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.529 ' HB3' ' OD1' ' B' ' 50' ' ' ASN . 40.7 tt0 -61.28 -42.51 98.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.027 179.272 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 97.2 mt -64.16 -40.77 96.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ALA . . . . . 0.48 ' HB2' HG22 ' B' ' 47' ' ' VAL . . . -66.47 -40.28 89.28 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.805 178.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.3 -27.47 67.19 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.283 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.97 -41.24 97.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.042 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -100.07 10.86 40.61 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.442 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 64.3 mttp 59.22 46.38 13.0 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 123.586 0.554 . . . . 0.0 111.919 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 49.5 mm -91.94 113.06 26.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.55 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 89.7 mt -109.81 -0.29 18.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.286 -0.416 . . . . 0.0 112.022 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -148.33 154.74 40.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.632 0.253 . . . . 0.0 111.226 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 64.8 p -141.45 150.34 57.45 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.906 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' PRO . . . . . 0.422 ' HB3' HG12 ' B' ' 14' ' ' VAL . 4.5 Cg_exo -81.23 134.62 28.56 Favored 'Cis proline' 0 C--N 1.348 0.503 0 C-N-CA 124.156 -1.185 . . . . 0.0 112.22 -1.679 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 31.9 p -132.03 152.58 51.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.015 0.436 . . . . 0.0 111.364 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.578 HD11 ' HG ' ' B' ' 10' ' ' LEU . 65.7 tp -106.01 124.81 50.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.075 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ALA . . . . . 0.693 ' HB3' ' HB2' ' B' ' 11' ' ' LYS . . . -110.39 135.39 51.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.803 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -105.59 120.41 41.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.518 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.644 ' HA ' HG12 ' B' ' 73' ' ' VAL . 83.5 t -98.05 -50.66 11.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.106 0.479 . . . . 0.0 109.945 178.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 80.9 mt -129.92 136.69 29.45 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.051 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -76.23 151.7 95.39 Favored 'Cis proline' 0 C--N 1.347 0.455 0 C-N-CA 123.565 -1.431 . . . . 0.0 112.744 -0.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.61 166.21 29.87 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.018 2.479 . . . . 0.0 112.305 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -72.64 159.63 96.26 Favored 'Cis proline' 0 C--N 1.353 0.806 0 C-N-CA 124.269 -1.138 . . . . 0.0 113.781 1.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.644 HG12 ' HA ' ' B' ' 68' ' ' VAL . 10.1 m -68.52 130.2 33.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.233 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -136.66 158.58 44.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.295 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 34.1 ptt-85 -129.47 149.74 51.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.942 0.401 . . . . 0.0 110.77 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' ILE . . . . . 0.498 HD12 HD23 ' B' ' 65' ' ' LEU . 81.8 mt -114.27 122.3 68.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.398 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 81.0 mt -115.66 123.92 71.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.033 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 172.98 -165.66 38.01 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.828 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -85.69 98.93 10.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.881 0.372 . . . . 0.0 110.222 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -69.78 -25.33 63.74 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.37 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 77.1 p -69.81 -18.94 63.49 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 120.76 0.314 . . . . 0.0 111.347 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.483 ' O ' HG12 ' B' ' 86' ' ' VAL . 61.0 t-20 -88.98 104.28 16.83 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 83' ' ' ARG . . . . . 0.484 ' HA ' HG12 ' B' ' 86' ' ' VAL . 44.3 ttm180 -60.59 -37.77 82.43 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.08 -178.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.76 -46.82 87.97 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 120.587 0.232 . . . . 0.0 111.427 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -71.81 -45.89 60.0 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.559 HG13 HD11 ' B' ' 31' ' ' ILE . 7.2 p -60.98 -32.63 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.325 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 5.7 mt -64.53 -39.91 94.64 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 177.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 82.1 mt -61.43 -48.16 90.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.482 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.47 -42.54 98.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.188 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 5.6 mp -74.57 -36.77 63.07 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 44.7 tpt85 -60.64 -38.42 84.75 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.781 0.324 . . . . 0.0 110.954 -178.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.64 -37.63 84.71 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.639 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.02 -38.74 89.82 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.79 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.579 ' HB2' ' HE2' ' B' ' 36' ' ' PHE . . . -61.04 -40.74 94.78 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.118 0.485 . . . . 0.0 111.254 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.33 -41.07 96.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.348 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -64.98 -41.52 95.36 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.956 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 17.9 tt -72.28 -29.91 33.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-O 120.775 0.321 . . . . 0.0 111.477 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -80.22 -10.7 85.16 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.68 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -87.14 73.21 9.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.874 0.369 . . . . 0.0 110.635 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -133.02 128.13 35.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.687 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.48 127.81 26.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.167 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -91.17 102.91 15.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.655 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -90.88 104.07 16.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.558 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -84.93 76.64 10.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.567 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -90.95 101.0 13.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 50.4 mmtm . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.314 -0.85 . . . . 0.0 110.635 179.562 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.858 0.361 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . -72.62 143.65 34.24 Favored Glycine 0 CA--C 1.518 0.252 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.776 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 615' ' ' ARG . . . . . 0.458 ' O ' HG12 ' A' ' 657' ' ' ILE . 9.4 ptm180 -101.2 131.32 47.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.287 0.565 . . . . 0.0 111.188 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.511 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 85.9 mt -124.43 132.6 71.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.682 -178.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 617' ' ' VAL . . . . . 0.708 HG23 ' HB3' ' A' ' 656' ' ' PRO . 97.0 t -110.69 126.4 68.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.12 0.486 . . . . 0.0 110.552 179.298 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.418 HD12 ' O ' ' A' ' 660' ' ' LEU . 58.2 tp -104.59 124.17 48.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.266 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 59.1 t -113.55 107.78 23.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.01 0.433 . . . . 0.0 110.463 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 34.6 t -162.04 139.79 8.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.555 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -74.96 -13.02 60.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.655 0.264 . . . . 0.0 111.321 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -86.73 106.74 17.86 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.949 0.404 . . . . 0.0 110.682 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 51.9 mp0 -65.62 -37.24 86.03 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -178.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -60.45 -44.14 96.14 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 87.3 m -66.5 -42.28 87.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.187 0.518 . . . . 0.0 110.192 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 626' ' ' SER . . . . . 0.413 ' HA ' ' CD2' ' A' ' 618' ' ' LEU . 68.5 m -62.47 -40.82 97.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.222 -179.274 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 92.1 m -60.56 -45.98 91.89 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 110.568 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 66.7 tp -63.34 -47.19 83.2 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.147 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 629' ' ' ILE . . . . . . . . . . . . . 37.4 mm -63.32 -45.63 97.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -178.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 89.1 m -62.08 -42.7 99.48 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 111.577 0.214 . . . . 0.0 111.577 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 56.5 m -64.46 -42.72 95.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.682 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 632' ' ' ILE . . . . . 0.421 HD13 ' HA ' ' A' ' 710' ' ' PRO . 96.2 mt -62.81 -50.36 79.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -179.23 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 633' ' ' LEU . . . . . 0.566 ' HB2' HG21 ' A' ' 640' ' ' VAL . 85.8 mt -71.12 -40.15 71.62 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -179.218 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 634' ' ' THR . . . . . 0.658 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 94.3 m -63.92 -43.68 95.2 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -178.286 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 635' ' ' THR . . . . . . . . . . . . . 18.9 m -62.6 -36.73 83.66 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.947 0.403 . . . . 0.0 110.567 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -70.7 -8.29 50.98 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.452 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 108.04 6.14 32.36 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.455 -0.879 . . . . 0.0 113.681 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 638' ' ' TYR . . . . . 0.658 ' O ' ' HA ' ' A' ' 634' ' ' THR . 97.6 m-85 -96.47 149.56 21.6 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -102.2 112.29 24.92 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 640' ' ' VAL . . . . . 0.566 HG21 ' HB2' ' A' ' 633' ' ' LEU . 58.0 t -110.68 130.62 63.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -178.314 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 641' ' ' ILE . . . . . 0.693 HG21 HD13 ' A' ' 654' ' ' LEU . 83.2 mt -119.3 126.08 75.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.083 -0.962 . . . . 0.0 108.634 177.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 642' ' ' TRP . . . . . 0.404 ' CH2' HG22 ' A' ' 644' ' ' VAL . 60.3 t90 -95.31 125.47 39.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.066 0.46 . . . . 0.0 111.238 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 643' ' ' LEU . . . . . 0.457 HD11 ' HG2' ' A' ' 650' ' ' ARG . 0.5 OUTLIER -119.41 137.12 53.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.667 179.752 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 644' ' ' VAL . . . . . 0.404 HG22 ' CH2' ' A' ' 642' ' ' TRP . 16.3 t -75.73 144.97 11.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.369 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 645' ' ' ASP . . . . . 0.571 ' OD2' ' HA3' ' A' ' 668' ' ' GLY . 39.3 t0 -61.7 146.58 48.77 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -177.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 103.61 -5.91 48.34 Favored Glycine 0 C--N 1.335 0.523 0 CA-C-N 115.344 -0.844 . . . . 0.0 113.927 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -114.16 87.22 2.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 117.748 0.774 . . . . 0.0 112.749 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 85.2 t -71.68 -40.32 70.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.395 178.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 649' ' ' GLU . . . . . 0.467 ' OE1' ' HB2' ' B' ' 17' ' ' ASN . 96.5 mt-10 -59.13 -37.7 77.87 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.531 0.205 . . . . 0.0 110.599 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 650' ' ' ARG . . . . . 0.457 ' HG2' HD11 ' A' ' 643' ' ' LEU . 0.0 OUTLIER -64.26 -35.49 81.0 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 177.768 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.07 -40.25 90.71 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.003 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.434 ' HA ' HG23 ' A' ' 655' ' ' THR . 3.6 mm? -70.65 -39.38 73.67 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.425 178.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 653' ' ' ALA . . . . . 0.556 ' HB2' HG13 ' B' ' 22' ' ' VAL . . . -59.8 -39.64 85.68 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.12 179.089 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 654' ' ' LEU . . . . . 0.693 HD13 HG21 ' A' ' 641' ' ' ILE . 90.2 mt -108.94 29.76 7.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.801 -179.442 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 655' ' ' THR . . . . . 0.434 HG23 ' HA ' ' A' ' 652' ' ' LEU . 0.5 OUTLIER -29.63 103.05 0.18 Allowed Pre-proline 0 N--CA 1.479 1.023 0 N-CA-C 113.923 1.082 . . . . 0.0 113.923 -178.568 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 656' ' ' PRO . . . . . 0.708 ' HB3' HG23 ' A' ' 617' ' ' VAL . 46.1 Cg_endo -86.61 171.88 7.05 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 123.615 2.877 . . . . 0.0 113.026 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.458 HG12 ' O ' ' A' ' 615' ' ' ARG . 43.8 pt -80.98 -21.22 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.613 0.72 . . . . 0.0 109.218 177.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -154.99 152.66 29.94 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.03 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 14.6 p -123.27 137.73 55.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.892 0.377 . . . . 0.0 110.343 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.706 HD23 ' HB2' ' A' ' 689' ' ' PHE . 83.9 mt -114.08 128.14 56.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.321 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 661' ' ' LEU . . . . . 0.753 ' HB2' HG22 ' A' ' 690' ' ' ILE . 75.9 mt -113.85 117.91 32.74 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 177.528 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -107.89 127.54 53.83 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -177.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 663' ' ' GLU . . . . . 0.444 ' HB3' ' HA ' ' A' ' 664' ' ' PRO . 77.4 mm-40 -81.2 160.2 66.04 Favored Pre-proline 0 CA--C 1.532 0.277 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.028 178.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 664' ' ' PRO . . . . . 0.444 ' HA ' ' HB3' ' A' ' 663' ' ' GLU . 93.0 Cg_endo -80.24 155.91 86.72 Favored 'Cis proline' 0 C--N 1.351 0.699 0 C-N-CA 124.204 -1.165 . . . . 0.0 113.803 -0.224 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -111.76 87.29 2.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.245 178.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 73.2 m -63.44 -39.94 95.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -129.33 126.15 38.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.24 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 668' ' ' GLY . . . . . 0.571 ' HA3' ' OD2' ' A' ' 645' ' ' ASP . . . 107.44 138.37 8.75 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.907 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -96.61 116.65 29.46 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.974 0.109 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 670' ' ' VAL . . . . . 0.414 ' O ' HG23 ' A' ' 674' ' ' VAL . 36.0 m -61.02 -33.44 55.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 120.52 0.2 . . . . 0.0 111.346 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -64.31 -38.05 89.66 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.695 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 54.9 tp10 -61.41 -45.21 95.28 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.338 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 673' ' ' LEU . . . . . 0.539 HD11 ' OD1' ' A' ' 645' ' ' ASP . 86.3 mt -63.67 -41.51 98.16 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.607 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 674' ' ' VAL . . . . . 0.543 HG22 HG21 ' A' ' 688' ' ' ILE . 54.0 t -61.36 -47.63 92.58 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.933 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -63.12 -44.18 96.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.686 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -64.83 -40.52 95.32 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.23 -39.27 93.61 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.794 -0.184 . . . . 0.0 111.366 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 -62.99 -37.17 86.07 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.132 0.492 . . . . 0.0 110.927 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -64.91 -37.51 87.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.612 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 14.7 mmp_? -87.84 -40.68 13.81 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.605 0.595 . . . . 0.0 112.605 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 73.6 m -126.61 145.75 50.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.822 0.344 . . . . 0.0 111.526 -179.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 72.4 p -72.81 154.74 91.09 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.633 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.83 -28.44 86.42 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.387 2.058 . . . . 0.0 113.261 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -76.72 -32.95 58.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.82 0.343 . . . . 0.0 110.622 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -72.15 -38.49 69.18 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.18 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 686' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -143.33 133.09 23.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.509 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -106.68 148.76 27.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.418 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 688' ' ' ILE . . . . . 0.543 HG21 HG22 ' A' ' 674' ' ' VAL . 65.2 mt -111.57 128.52 68.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.559 -178.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 689' ' ' PHE . . . . . 0.706 ' HB2' HD23 ' A' ' 660' ' ' LEU . 92.6 m-85 -129.12 146.58 51.03 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 690' ' ' ILE . . . . . 0.753 HG22 ' HB2' ' A' ' 661' ' ' LEU . 34.3 pt -126.73 143.95 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -179.111 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 691' ' ' LEU . . . . . 0.675 HD11 ' HE1' ' A' ' 713' ' ' PHE . 6.0 mp -112.48 139.52 47.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.662 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 83.33 19.9 61.49 Favored Glycine 0 CA--C 1.516 0.1 0 C-N-CA 120.795 -0.717 . . . . 0.0 114.194 178.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 47.0 t -109.65 128.94 55.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 117.111 0.456 . . . . 0.0 110.674 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 29.8 tptp -63.4 -43.06 98.61 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.196 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . -115.39 177.69 17.34 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.318 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -103.17 113.3 26.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.729 0.3 . . . . 0.0 111.007 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -78.75 155.59 29.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.745 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -62.44 140.26 58.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.682 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 92.49 -5.9 77.55 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.139 -179.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 700' ' ' VAL . . . . . 0.743 HG11 HG12 ' A' ' 690' ' ' ILE . 60.7 t -108.62 121.57 61.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.877 0.37 . . . . 0.0 110.365 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -67.32 -44.08 80.04 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.32 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 59.1 ttm-85 -149.64 144.93 26.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.781 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 37.0 p90 -116.33 148.41 40.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.989 0.423 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 704' ' ' ILE . . . . . 0.512 ' HB ' ' HG ' ' A' ' 691' ' ' LEU . 5.2 mp -119.43 100.44 49.67 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.99 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -72.87 152.97 52.9 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.771 2.314 . . . . 0.0 113.581 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 706' ' ' LEU . . . . . 0.816 HD23 HG23 ' A' ' 708' ' ' ILE . 81.0 mt -94.71 150.19 37.57 Favored Pre-proline 0 N--CA 1.465 0.304 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.708 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 707' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.03 152.07 97.79 Favored 'Cis proline' 0 C--N 1.352 0.737 0 C-N-CA 123.768 -1.347 . . . . 0.0 112.42 -0.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 708' ' ' ILE . . . . . 0.816 HG23 HD23 ' A' ' 706' ' ' LEU . 33.5 pt -107.98 153.94 9.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.12 0.486 . . . . 0.0 111.592 -179.582 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -113.44 146.42 35.32 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 710' ' ' PRO . . . . . 0.421 ' HA ' HD13 ' A' ' 632' ' ' ILE . 87.6 Cg_exo -53.21 -51.13 11.72 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.449 2.099 . . . . 0.0 113.634 -178.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.32 -40.67 90.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.409 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 70.2 m -63.16 -46.91 84.95 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.034 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 713' ' ' PHE . . . . . 0.675 ' HE1' HD11 ' A' ' 691' ' ' LEU . 80.0 t80 -60.33 -48.75 80.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.885 179.005 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 63.1 tp -60.41 -43.47 96.67 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.905 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -63.46 -42.26 98.63 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 121.115 -0.234 . . . . 0.0 111.14 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -65.12 -41.62 94.68 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.974 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 717' ' ' VAL . . . . . 0.501 ' O ' ' HG ' ' A' ' 721' ' ' LEU . 59.7 t -64.92 -45.46 94.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.963 179.065 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 90.6 m -60.89 -46.66 89.76 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.283 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.7 -37.81 87.49 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.451 178.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -63.21 -38.2 96.11 Favored Glycine 0 CA--C 1.519 0.318 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.549 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 721' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 717' ' ' VAL . 91.9 mt -77.88 -8.93 58.74 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 85.0 m -64.55 136.26 56.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 52.9 m 65.95 43.21 3.08 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.967 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 724' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.76 162.32 14.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.968 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -61.33 -39.33 90.14 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.884 0.373 . . . . 0.0 111.557 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 66.7 p -104.03 159.1 15.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.665 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 59.4 m -65.47 136.07 55.98 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.848 0.356 . . . . 0.0 111.284 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -155.93 156.24 34.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.236 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.873 179.502 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 120.998 0.428 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ALA . . . . . 0.645 ' HB1' ' HB2' ' B' ' 5' ' ' ARG . . . -130.96 73.68 80.78 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.22 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -58.26 -40.71 73.6 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.034 2.489 . . . . 0.0 113.399 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.13 47.23 2.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.874 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.645 ' HB2' ' HB1' ' B' ' 2' ' ' ALA . 43.4 mtm105 -127.79 34.84 4.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.537 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -83.61 87.09 7.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.336 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.558 HG21 ' HB ' ' A' ' 634' ' ' THR . 71.4 p -128.83 158.56 38.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.671 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.451 ' HA ' ' O ' ' B' ' 69' ' ' LEU . . . -97.05 139.16 33.47 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 178.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 61.1 t -111.38 118.62 57.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.901 0.381 . . . . 0.0 111.436 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.9 mp -107.99 124.12 49.68 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.577 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.593 ' HB2' ' HB3' ' B' ' 66' ' ' ALA . 97.9 mttt -102.56 109.39 21.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.07 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.412 HD23 HD23 ' B' ' 25' ' ' LEU . 63.7 tp -98.3 120.48 38.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.209 0.528 . . . . 0.0 110.377 178.46 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -99.66 130.78 45.91 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.369 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.412 ' HA ' ' CG2' ' B' ' 62' ' ' THR . 22.5 m -133.39 167.14 27.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.788 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.13 130.5 35.53 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLY . . . . . 0.437 ' N ' HD12 ' B' ' 48' ' ' LEU . . . 76.97 -170.47 55.13 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.567 -0.742 . . . . 0.0 114.059 177.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.467 ' HB2' ' OE1' ' A' ' 649' ' ' GLU . 24.6 p-10 -116.44 24.58 11.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.253 -0.474 . . . . 0.0 110.603 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 67.6 p -70.68 153.82 94.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.744 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.425 ' HA ' ' HB ' ' B' ' 22' ' ' VAL . 31.7 Cg_endo -63.22 -23.7 72.6 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.264 1.976 . . . . 0.0 112.264 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -62.28 -43.92 97.73 Favored 'General case' 0 N--CA 1.46 0.072 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 75.5 m -70.17 -39.1 75.5 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.141 178.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.556 HG13 ' HB2' ' A' ' 653' ' ' ALA . 60.1 t -65.05 -46.86 90.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.812 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' B' ' 23' ' ' ARG . 37.7 ttp-105 -65.44 -35.42 80.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.11 -179.205 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.59 -40.83 84.33 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.148 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.593 HD22 HD11 ' A' ' 654' ' ' LEU . 71.4 mt -61.82 -43.0 99.72 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.888 178.409 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.11 -41.1 95.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.008 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 92.4 m -64.67 -47.14 79.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.828 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 60.5 tp -65.33 -43.0 92.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.562 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' B' ' 33' ' ' GLU . . . -61.26 -42.58 98.88 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -178.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -62.56 -41.68 99.06 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.791 HD11 ' HG3' ' B' ' 83' ' ' ARG . 91.9 mt -66.09 -45.89 89.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 -178.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.854 HD11 ' HG ' ' B' ' 90' ' ' LEU . 4.7 mp -86.75 -15.9 37.99 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -177.144 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.621 ' O ' ' HB3' ' B' ' 37' ' ' LYS . 88.2 tt0 -61.36 -40.52 94.61 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -179.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.587 ' O ' ' HG2' ' B' ' 37' ' ' LYS . 12.4 tppt? -96.53 -52.55 3.9 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -179.108 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -70.37 -38.59 74.77 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -178.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' PHE . . . . . 0.522 ' CE2' ' HB2' ' B' ' 94' ' ' ALA . 78.6 m-85 -109.93 25.26 11.99 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -177.061 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.621 ' HB3' ' O ' ' B' ' 33' ' ' GLU . 8.4 ptmm? -68.5 130.98 44.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.067 0.461 . . . . 0.0 112.002 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.92 0.86 90.53 Favored Glycine 0 CA--C 1.52 0.365 0 N-CA-C 114.818 0.687 . . . . 0.0 114.818 178.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 21.2 m -117.63 -20.3 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 118.174 0.987 . . . . 0.0 112.556 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' TYR . . . . . 0.707 ' CE2' ' HB3' ' B' ' 32' ' ' LEU . 1.4 p90 -133.15 153.4 51.56 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -179.022 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.09 146.98 44.65 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 175.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.409 ' HB3' HG23 ' A' ' 641' ' ' ILE . 0.6 OUTLIER -108.73 138.24 45.37 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.643 -0.423 . . . . 0.0 111.861 -177.544 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -128.08 136.99 51.96 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 61.0 t -121.59 125.29 73.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -178.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 4.0 mp -125.82 134.38 66.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.399 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -95.15 110.66 22.59 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 34.9 m -63.96 -28.58 45.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -177.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.437 HD12 ' N ' ' B' ' 16' ' ' GLY . 86.1 mt -68.96 -36.62 78.11 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 49.8 mmtm -70.03 -38.66 75.93 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.651 0.262 . . . . 0.0 111.398 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.631 ' OD1' ' HG2' ' B' ' 52' ' ' GLN . 20.4 t-20 -140.8 87.25 11.32 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -62.74 -24.51 74.69 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 123.086 2.524 . . . . 0.0 114.571 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.631 ' HG2' ' OD1' ' B' ' 50' ' ' ASN . 24.4 pt20 -67.73 -26.4 66.13 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.14 -179.642 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 93.4 mt -66.0 -41.44 91.04 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.818 0.342 . . . . 0.0 110.524 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.45 -40.77 93.63 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.545 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.19 -37.61 87.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.708 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -65.34 -40.31 93.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.194 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -96.22 9.22 41.71 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 64.2 mttp 56.8 48.62 15.75 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 44.6 mm -92.61 110.02 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.85 0.357 . . . . 0.0 110.354 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 89.7 mt -110.42 6.89 22.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.784 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -143.57 158.37 43.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.665 0.269 . . . . 0.0 110.936 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' THR . . . . . 0.412 ' CG2' ' HA ' ' B' ' 14' ' ' VAL . 20.8 m -145.21 131.16 9.57 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.642 -0.253 . . . . 0.0 110.629 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -80.13 148.3 78.0 Favored 'Cis proline' 0 C--N 1.352 0.725 0 C-N-CA 124.7 -0.958 . . . . 0.0 112.934 -1.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 99.8 m -129.73 134.29 47.53 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.13 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 73.4 mt -99.24 125.5 44.85 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.42 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ALA . . . . . 0.593 ' HB3' ' HB2' ' B' ' 11' ' ' LYS . . . -114.71 136.07 53.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.346 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.543 ' O ' HG13 ' B' ' 73' ' ' VAL . 86.9 tttt -102.88 122.33 44.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.14 179.156 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.592 HG21 ' HE3' ' B' ' 11' ' ' LYS . 46.5 t -94.42 -59.29 3.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.864 0.364 . . . . 0.0 111.02 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.52 ' HB2' ' HA ' ' B' ' 70' ' ' PRO . 2.3 pp -160.21 160.54 26.48 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.543 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' PRO . . . . . 0.52 ' HA ' ' HB2' ' B' ' 69' ' ' LEU . 51.1 Cg_endo -67.98 148.82 82.79 Favored 'Cis proline' 0 C--N 1.353 0.777 0 C-N-CA 123.834 -1.319 . . . . 0.0 113.047 0.094 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' PRO . . . . . 0.505 ' HD3' ' HA ' ' B' ' 70' ' ' PRO . 34.2 Cg_exo -61.33 165.35 13.09 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.415 2.744 . . . . 0.0 112.633 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -71.08 158.23 95.04 Favored 'Cis proline' 0 C--N 1.353 0.811 0 C-N-CA 124.47 -1.054 . . . . 0.0 114.824 2.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.543 HG13 ' O ' ' B' ' 67' ' ' LYS . 95.3 t -85.64 119.88 34.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.439 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.454 HH21 ' HZ3' ' B' ' 67' ' ' LYS . 91.2 mtm180 -135.78 160.7 37.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 -179.664 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 42.7 ptt85 -129.78 149.32 51.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.28 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 80.8 mt -114.02 121.74 66.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.956 0.408 . . . . 0.0 110.921 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.8 118.61 59.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.29 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 174.17 -173.84 46.14 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.22 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -85.56 102.69 13.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.069 0.461 . . . . 0.0 110.684 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' B' ' 80' ' ' LEU . 0.6 OUTLIER -68.92 -15.98 63.63 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.409 -179.902 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 83.9 p -65.59 -23.4 66.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.603 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.439 ' O ' HG23 ' B' ' 86' ' ' VAL . 61.9 t-20 -91.85 108.2 19.75 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 83' ' ' ARG . . . . . 0.791 ' HG3' HD11 ' B' ' 31' ' ' ILE . 62.1 ttp180 -60.84 -36.97 80.49 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.387 -179.234 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -57.02 -52.18 66.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.706 0.289 . . . . 0.0 111.515 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -64.82 -38.25 90.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.94 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 82' ' ' ASN . 77.4 t -61.54 -45.18 99.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.483 ' O ' ' HG2' ' B' ' 91' ' ' ARG . 64.8 tp -62.1 -46.01 90.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.279 178.374 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 87.1 mt -60.79 -47.52 92.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.634 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.51 -42.69 98.47 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.854 ' HG ' HD11 ' B' ' 32' ' ' LEU . 1.4 mm? -70.92 -37.25 72.89 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -178.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' B' ' 87' ' ' LEU . 56.0 mmm-85 -62.37 -38.89 91.31 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.622 0.248 . . . . 0.0 110.95 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.5 -39.89 95.64 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.548 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 6.7 mp -66.23 -38.24 87.43 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.274 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.522 ' HB2' ' CE2' ' B' ' 36' ' ' PHE . . . -60.93 -43.34 98.76 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.886 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -65.42 -40.9 93.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.977 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -66.83 -40.7 88.09 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.755 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.428 HD11 ' HG2' ' B' ' 70' ' ' PRO . 9.7 tp -74.41 -28.43 22.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-O 120.59 0.233 . . . . 0.0 111.34 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -62.5 -38.33 96.15 Favored Glycine 0 C--N 1.335 0.477 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.487 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -87.88 70.67 9.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.051 0.453 . . . . 0.0 110.372 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -118.03 116.66 27.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.363 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 50.5 mmtm 53.84 41.5 32.03 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 123.684 0.615 . . . . 0.0 111.918 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -90.97 105.15 17.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.563 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -156.16 159.62 39.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.279 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -89.76 104.22 16.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.61 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -90.53 102.38 15.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.549 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 64.8 tttm . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.121 -0.942 . . . . 0.0 110.472 179.948 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.917 0.389 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . 175.18 -174.05 46.56 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.625 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -78.92 149.31 32.4 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.822 0.344 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.593 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 49.1 mm -123.76 128.08 74.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.814 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 617' ' ' VAL . . . . . 0.728 HG22 ' HG3' ' A' ' 656' ' ' PRO . 22.3 m -120.48 146.33 25.51 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.034 178.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.648 HD22 ' CH2' ' A' ' 642' ' ' TRP . 1.6 tt -126.49 129.34 48.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.97 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 61.2 t -114.91 112.18 38.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.961 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 36.9 t -170.56 154.2 4.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.147 179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -92.45 0.8 57.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.07 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -83.05 105.44 14.04 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.987 0.422 . . . . 0.0 111.472 -178.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 51.2 mp0 -65.4 -28.7 69.44 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.595 -0.729 . . . . 0.0 112.716 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -60.76 -41.6 95.77 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.695 0.283 . . . . 0.0 111.675 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 9.1 p -75.55 -19.48 59.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.895 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 626' ' ' SER . . . . . 0.664 ' HA ' ' CZ3' ' A' ' 642' ' ' TRP . 67.3 m -61.21 -44.12 97.78 Favored 'General case' 0 N--CA 1.462 0.127 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -178.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 39.3 m -85.1 -44.57 12.87 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 69.0 tp -61.03 -51.09 70.66 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -177.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 629' ' ' ILE . . . . . . . . . . . . . 62.1 mt -72.19 -27.81 27.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 630' ' ' CYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 626' ' ' SER . 42.1 t -57.25 -50.6 72.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.284 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 90.0 p -68.02 -35.29 78.05 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.825 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 632' ' ' ILE . . . . . 0.642 ' HA ' HD11 ' B' ' 4' ' ' LEU . 79.6 mt -61.2 -49.1 85.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 633' ' ' LEU . . . . . 0.532 HD12 HG22 ' A' ' 632' ' ' ILE . 5.5 mp -88.78 -39.12 14.14 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 -178.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 634' ' ' THR . . . . . 0.516 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 91.3 m -64.15 -42.22 96.87 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -177.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 635' ' ' THR . . . . . 0.731 HG21 ' H ' ' B' ' 5' ' ' ARG . 78.8 p -68.36 -19.46 64.64 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -178.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -81.72 0.8 37.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.598 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 98.62 8.08 54.93 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.762 -0.733 . . . . 0.0 113.037 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 638' ' ' TYR . . . . . 0.516 ' O ' ' HA ' ' A' ' 634' ' ' THR . 13.0 m-30 -99.3 149.98 22.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.842 0.353 . . . . 0.0 110.559 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.8 108.66 19.96 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 640' ' ' VAL . . . . . 0.593 ' HA ' ' O ' ' A' ' 616' ' ' ILE . 58.0 t -101.39 126.85 55.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.331 0.586 . . . . 0.0 112.552 -178.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 641' ' ' ILE . . . . . 0.528 ' HB ' HG12 ' A' ' 617' ' ' VAL . 85.1 mt -118.42 124.02 72.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.221 -0.9 . . . . 0.0 108.707 177.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 642' ' ' TRP . . . . . 0.664 ' CZ3' ' HA ' ' A' ' 626' ' ' SER . 12.2 t-105 -93.07 120.57 33.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.771 0.32 . . . . 0.0 110.527 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 643' ' ' LEU . . . . . 0.454 HD12 HD23 ' A' ' 651' ' ' LEU . 84.6 mt -115.94 143.88 44.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.377 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 17.9 m -79.74 150.16 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.867 0.365 . . . . 0.0 110.417 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 645' ' ' ASP . . . . . 0.507 ' OD1' ' HA3' ' A' ' 668' ' ' GLY . 11.5 t70 -67.62 148.75 50.97 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -177.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 102.82 -11.09 56.09 Favored Glycine 0 C--N 1.335 0.485 0 CA-C-N 115.568 -0.742 . . . . 0.0 114.036 178.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -114.53 94.29 4.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 117.668 0.734 . . . . 0.0 112.768 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 93.1 t -70.77 -37.74 70.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.691 178.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 649' ' ' GLU . . . . . 0.469 ' OE1' ' HB2' ' B' ' 17' ' ' ASN . 98.2 mt-10 -58.19 -34.24 70.13 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.52 179.252 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 88.0 mmt-85 -61.97 -39.84 93.56 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 177.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.616 HD13 HD21 ' A' ' 677' ' ' LEU . 96.1 mt -66.79 -40.95 88.32 Favored 'General case' 0 C--O 1.227 -0.122 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.371 178.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.477 ' HA ' HG23 ' A' ' 655' ' ' THR . 89.5 mt -67.38 -40.93 85.72 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.979 179.417 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 653' ' ' ALA . . . . . 0.466 ' HB2' HG13 ' B' ' 22' ' ' VAL . . . -60.39 -40.13 89.79 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.358 0.599 . . . . 0.0 111.362 179.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 654' ' ' LEU . . . . . 0.635 HD11 HD22 ' B' ' 25' ' ' LEU . 87.5 mt -108.93 30.06 6.89 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.561 -179.145 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 655' ' ' THR . . . . . 0.477 HG23 ' HA ' ' A' ' 652' ' ' LEU . 0.0 OUTLIER -34.13 101.52 0.2 Allowed Pre-proline 0 N--CA 1.476 0.845 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -178.083 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 656' ' ' PRO . . . . . 0.728 ' HG3' HG22 ' A' ' 617' ' ' VAL . 41.8 Cg_endo -88.92 177.81 2.89 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 123.861 3.041 . . . . 0.0 112.394 179.145 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 43.1 pt -83.34 -22.02 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.272 0.558 . . . . 0.0 109.658 177.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 658' ' ' ALA . . . . . 0.484 ' HB2' HD21 ' A' ' 721' ' ' LEU . . . -154.49 151.48 28.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.481 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.74 HG13 HD11 ' A' ' 686' ' ' LEU . 29.6 m -120.12 143.75 30.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.825 0.345 . . . . 0.0 110.504 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.732 HD23 ' HB2' ' A' ' 689' ' ' PHE . 84.1 mt -115.63 122.83 46.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.487 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 74.1 mt -116.6 127.09 54.15 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -109.37 117.11 33.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.864 0.364 . . . . 0.0 111.828 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 663' ' ' GLU . . . . . 0.419 ' HB3' ' HA ' ' A' ' 664' ' ' PRO . 81.3 mm-40 -80.87 159.71 68.1 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.983 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 664' ' ' PRO . . . . . 0.419 ' HA ' ' HB3' ' A' ' 663' ' ' GLU . 68.7 Cg_endo -83.73 158.21 71.82 Favored 'Cis proline' 0 C--N 1.352 0.735 0 C-N-CA 124.219 -1.159 . . . . 0.0 113.737 -0.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 665' ' ' PHE . . . . . 0.46 ' CD1' ' HB ' ' A' ' 670' ' ' VAL . 5.3 m-30 -102.8 90.93 3.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.466 178.322 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 70.6 m -64.61 -39.87 94.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.112 0.482 . . . . 0.0 110.404 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -112.81 121.02 43.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.251 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 668' ' ' GLY . . . . . 0.507 ' HA3' ' OD1' ' A' ' 645' ' ' ASP . . . 95.95 149.25 25.39 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.771 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -95.95 113.61 25.25 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 122.832 -0.216 . . . . 0.0 110.635 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 670' ' ' VAL . . . . . 0.46 ' HB ' ' CD1' ' A' ' 665' ' ' PHE . 7.2 p -58.99 -37.52 68.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -64.48 -39.56 94.03 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.837 0.351 . . . . 0.0 110.633 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 55.0 tp10 -65.91 -43.33 88.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.367 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 62.3 tp -62.31 -45.88 91.26 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.026 -178.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 34.2 m -67.21 -33.29 61.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.115 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -61.02 -45.72 93.64 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.07 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -62.46 -40.12 95.59 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.252 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 677' ' ' LEU . . . . . 0.616 HD21 HD13 ' A' ' 651' ' ' LEU . 87.3 mt -62.76 -40.77 98.3 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.95 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -64.01 -38.66 91.9 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.16 0.505 . . . . 0.0 110.947 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.13 -37.81 84.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.337 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 15.1 mmp_? -87.83 -38.99 15.22 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 72.7 m -126.77 146.01 50.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.162 0.506 . . . . 0.0 112.232 -178.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 63.5 p -76.33 156.39 83.57 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.193 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.18 -29.36 88.89 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.388 2.059 . . . . 0.0 113.241 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -75.39 -26.16 58.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.792 0.33 . . . . 0.0 110.869 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -89.13 -37.47 15.04 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.306 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 686' ' ' LEU . . . . . 0.74 HD11 HG13 ' A' ' 659' ' ' VAL . 60.8 tp -136.6 126.77 26.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 687' ' ' LYS . . . . . 0.415 ' HE2' ' HB2' ' A' ' 724' ' ' LEU . 68.8 mttm -104.49 148.14 26.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 688' ' ' ILE . . . . . . . . . . . . . 2.5 mp -114.54 120.3 63.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.175 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 689' ' ' PHE . . . . . 0.732 ' HB2' HD23 ' A' ' 660' ' ' LEU . 97.4 m-85 -116.77 134.29 54.97 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 84.4 mt -122.91 130.75 74.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.293 0.568 . . . . 0.0 111.732 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 691' ' ' LEU . . . . . 0.493 HD21 HD12 ' A' ' 708' ' ' ILE . 0.7 OUTLIER -95.89 135.67 37.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.983 179.798 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 81.58 20.08 64.72 Favored Glycine 0 CA--C 1.519 0.281 0 C-N-CA 120.703 -0.761 . . . . 0.0 113.743 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 88.6 p -118.45 153.08 34.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 117.047 0.424 . . . . 0.0 110.876 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -148.91 144.19 26.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.021 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . 129.22 -9.11 6.27 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.485 -0.864 . . . . 0.0 113.395 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 55.2 t30 55.2 52.21 11.96 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 120.939 0.4 . . . . 0.0 111.42 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -68.96 148.94 49.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.382 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -69.84 150.58 46.67 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.079 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 92.59 -5.57 77.14 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.935 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 61.7 t -115.78 123.99 71.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -64.36 -46.24 84.27 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.724 0.297 . . . . 0.0 111.474 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 702' ' ' ARG . . . . . 0.41 ' HB3' ' CD2' ' A' ' 689' ' ' PHE . 41.0 ttm180 -161.18 147.89 14.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.6 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -114.41 148.65 37.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.287 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 704' ' ' ILE . . . . . 0.403 HG21 ' HD1' ' A' ' 713' ' ' PHE . 25.9 mm -102.94 115.4 64.21 Favored Pre-proline 0 C--O 1.235 0.333 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -72.44 154.04 55.56 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.827 2.352 . . . . 0.0 113.089 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 706' ' ' LEU . . . . . 0.465 ' HA ' ' C ' ' A' ' 707' ' ' PRO . 5.1 mp -112.41 159.34 34.38 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.543 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 707' ' ' PRO . . . . . 0.465 ' C ' ' HA ' ' A' ' 706' ' ' LEU . 39.0 Cg_endo -65.57 149.33 75.95 Favored 'Cis proline' 0 C--N 1.354 0.86 0 C-N-CA 123.904 -1.29 . . . . 0.0 113.184 1.065 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 708' ' ' ILE . . . . . 0.493 HD12 HD21 ' A' ' 691' ' ' LEU . 14.4 tt -82.06 133.55 28.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.897 -178.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -118.31 148.03 42.99 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -54.54 -58.26 1.36 Allowed 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.766 2.311 . . . . 0.0 114.423 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -71.33 -29.68 65.3 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 68.7 m -64.17 -47.58 79.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.269 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 713' ' ' PHE . . . . . 0.647 ' HZ ' HD13 ' A' ' 660' ' ' LEU . 85.9 t80 -61.49 -49.66 75.86 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.205 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 66.4 tp -61.89 -46.63 88.56 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -65.05 -41.65 94.99 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -178.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -64.8 -42.69 94.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.634 0.254 . . . . 0.0 111.03 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 717' ' ' VAL . . . . . . . . . . . . . 71.8 t -67.47 -44.94 86.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.219 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 90.8 m -60.94 -46.95 88.62 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.419 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -37.89 88.65 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.804 179.173 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -63.85 -38.52 96.25 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.581 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 721' ' ' LEU . . . . . 0.484 HD21 ' HB2' ' A' ' 658' ' ' ALA . 97.8 mt -75.25 -9.48 58.59 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 -178.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 82.1 p -65.39 -30.28 71.08 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.935 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 88.0 p -68.46 -36.46 79.03 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.656 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 724' ' ' LEU . . . . . 0.415 ' HB2' ' HE2' ' A' ' 687' ' ' LYS . 2.3 tt -64.32 -46.89 81.53 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.01 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -158.57 149.73 20.65 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 9.7 t -148.9 151.38 34.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.646 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 93.5 p -88.55 -11.3 46.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.445 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -149.25 151.65 34.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.973 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.779 -179.932 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ptm . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.57 0.224 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.77 65.06 6.86 Favored Pre-proline 0 N--CA 1.471 0.613 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.277 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_exo -59.66 141.05 96.4 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.726 2.284 . . . . 0.0 112.617 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.642 HD11 ' HA ' ' A' ' 632' ' ' ILE . 1.5 tt -92.13 133.59 35.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.302 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.731 ' H ' HG21 ' A' ' 635' ' ' THR . 0.0 OUTLIER -149.0 174.57 12.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.659 -179.129 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.52 142.28 55.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.032 0.444 . . . . 0.0 110.897 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 79.3 p -123.21 159.98 27.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.553 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.55 143.92 26.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.712 0.291 . . . . 0.0 110.425 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 59.1 t -119.12 125.91 74.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.99 0.424 . . . . 0.0 111.153 -178.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 81.7 mt -98.11 129.69 44.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.892 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.76 ' HB2' ' HB3' ' B' ' 66' ' ' ALA . 35.9 mmtp -100.9 109.35 21.29 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.358 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.418 ' HB2' HD11 ' B' ' 42' ' ' LEU . 65.9 tp -101.17 113.79 27.15 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.025 0.44 . . . . 0.0 110.475 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' TYR . . . . . 0.554 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 86.5 m-85 -98.77 127.61 44.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.069 178.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.664 HG12 ' HB3' ' B' ' 63' ' ' PRO . 27.0 m -129.7 163.52 34.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.52 121.25 26.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 111.638 -179.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.6 -176.6 54.62 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.078 -0.582 . . . . 0.0 113.293 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.469 ' HB2' ' OE1' ' A' ' 649' ' ' GLU . 24.3 p-10 -113.54 30.56 7.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.977 0.418 . . . . 0.0 110.814 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 61.4 p -70.22 156.87 91.15 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.275 -179.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -54.59 -33.25 78.18 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 123.012 2.475 . . . . 0.0 113.018 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -60.18 -42.31 94.74 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.019 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 99.6 p -71.39 -37.91 71.52 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.036 0.446 . . . . 0.0 110.527 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.466 HG13 ' HB2' ' A' ' 653' ' ' ALA . 74.6 t -67.04 -47.07 83.16 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.881 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 91.5 mtm180 -67.03 -35.22 79.42 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.43 -39.53 83.81 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.629 0.252 . . . . 0.0 110.824 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.635 HD22 HD11 ' A' ' 654' ' ' LEU . 81.2 mt -60.93 -44.09 97.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.945 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -64.65 -40.09 94.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.775 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 93.0 m -63.32 -47.0 84.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.056 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.814 HD11 HD12 ' B' ' 80' ' ' LEU . 6.8 mp -69.94 -39.24 76.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.695 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.43 96.07 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.843 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -62.52 -41.36 98.8 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.896 0.379 . . . . 0.0 111.115 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.565 HD11 ' HG3' ' B' ' 83' ' ' ARG . 97.7 mt -69.59 -44.65 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.354 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 86.9 mt -68.85 -37.12 78.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.681 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.449 ' O ' ' HB2' ' B' ' 37' ' ' LYS . 88.7 tt0 -62.67 -42.1 99.43 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -98.28 -62.41 1.25 Allowed 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -178.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -66.44 -39.67 89.04 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 -177.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.94 37.85 3.17 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -177.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' B' ' 33' ' ' GLU . 40.4 ttpt -70.0 125.65 27.37 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -178.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.12 14.16 82.09 Favored Glycine 0 C--N 1.334 0.454 0 CA-C-N 115.701 -0.681 . . . . 0.0 114.321 178.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.8 t -121.83 -48.21 2.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-N 117.615 0.707 . . . . 0.0 112.462 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -121.73 141.17 51.44 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -177.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.65 155.28 23.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.877 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.418 HD11 ' HB2' ' B' ' 12' ' ' LEU . 62.6 tp -118.89 133.73 55.64 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.03 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.473 ' HG3' ' HB3' ' A' ' 642' ' ' TRP . 87.8 tttt -122.58 130.6 53.18 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 177.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.481 HG21 HD21 ' B' ' 25' ' ' LEU . 59.6 t -116.09 126.69 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -177.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.2 mp -124.61 134.56 66.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.422 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -91.33 111.8 23.45 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 35.1 m -63.85 -29.21 46.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -178.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 85.6 mt -67.34 -37.97 84.13 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.931 -0.307 . . . . 0.0 111.441 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.45 -39.56 70.9 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.33 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.409 ' OD1' ' HG ' ' B' ' 53' ' ' LEU . 32.6 t-20 -136.75 86.11 22.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 179.341 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -67.52 -17.53 48.64 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.927 2.418 . . . . 0.0 113.391 -179.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.54 ' O ' ' HG2' ' B' ' 56' ' ' GLU . 4.5 mt-30 -66.11 -36.81 84.14 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.857 0.361 . . . . 0.0 110.352 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.409 ' HG ' ' OD1' ' B' ' 50' ' ' ASN . 85.0 mt -64.16 -41.3 97.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.135 -179.151 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.85 -39.81 94.16 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.963 0.411 . . . . 0.0 110.797 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -65.83 -32.12 73.46 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.377 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' B' ' 52' ' ' GLN . 79.3 mm-40 -64.9 -38.56 91.39 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.148 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -99.13 6.97 46.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.117 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt 55.99 43.5 27.11 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.277 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 88.8 mt -109.86 121.04 62.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.862 0.363 . . . . 0.0 111.043 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.8 mp -118.19 12.65 13.58 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.421 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -128.67 140.45 51.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.644 0.259 . . . . 0.0 110.969 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 73.6 p -143.41 149.71 48.79 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.051 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' PRO . . . . . 0.664 ' HB3' HG12 ' B' ' 14' ' ' VAL . 88.7 Cg_endo -80.14 142.91 63.84 Favored 'Cis proline' 0 C--N 1.35 0.612 0 C-N-CA 123.554 -1.436 . . . . 0.0 112.615 -1.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 23.9 p -137.37 156.22 48.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.893 0.378 . . . . 0.0 111.588 179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 83.5 mt -108.97 128.69 55.16 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.774 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ALA . . . . . 0.76 ' HB3' ' HB2' ' B' ' 11' ' ' LYS . . . -116.74 134.92 54.22 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.537 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' B' ' 73' ' ' VAL . 86.5 tttt -101.29 118.07 36.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.872 178.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.488 HG12 ' HG ' ' B' ' 69' ' ' LEU . 61.8 t -112.23 -57.75 3.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.892 0.377 . . . . 0.0 110.671 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.488 ' HG ' HG12 ' B' ' 68' ' ' VAL . 89.2 mt -129.31 132.36 24.24 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -77.24 159.97 94.71 Favored 'Cis proline' 0 C--N 1.348 0.507 0 C-N-CA 123.579 -1.425 . . . . 0.0 112.481 -0.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -65.09 165.93 20.3 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 123.226 2.618 . . . . 0.0 112.312 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -76.98 163.42 89.53 Favored 'Cis proline' 0 C--N 1.354 0.82 0 C-N-CA 124.342 -1.108 . . . . 0.0 114.581 1.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.442 ' HA ' ' O ' ' B' ' 67' ' ' LYS . 83.4 t -84.23 122.17 37.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.162 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -150.7 150.31 30.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.104 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 31.3 ptt-85 -116.92 149.51 40.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.944 0.402 . . . . 0.0 111.159 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 81.3 mt -115.51 124.95 72.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.435 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 81.1 mt -114.61 124.93 71.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.113 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 179.38 -168.03 38.4 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.125 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -86.42 98.8 11.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.868 0.366 . . . . 0.0 110.39 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.814 HD12 HD11 ' B' ' 28' ' ' LEU . 2.6 mm? -73.39 -21.14 60.58 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.403 -179.145 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 79.9 p -71.74 -16.61 62.22 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.795 0.331 . . . . 0.0 111.225 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.445 ' O ' HG23 ' B' ' 86' ' ' VAL . 50.6 t-20 -92.07 110.32 21.69 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' ARG . . . . . 0.565 ' HG3' HD11 ' B' ' 31' ' ' ILE . 43.7 ttm180 -60.22 -38.24 82.78 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.973 -178.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.32 -44.38 92.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.605 0.24 . . . . 0.0 110.94 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -37.67 73.67 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.546 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.445 HG23 ' O ' ' B' ' 82' ' ' ASN . 79.1 t -62.09 -43.57 97.9 Favored 'Isoleucine or valine' 0 C--O 1.231 0.109 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 22.2 mt -61.69 -41.08 97.09 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.41 178.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 92.6 mt -61.59 -48.8 87.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.686 0.279 . . . . 0.0 111.06 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.99 -42.68 89.47 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 7.3 mp -73.38 -35.98 65.99 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 45.3 tpt85 -61.35 -39.21 89.76 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 120.866 0.365 . . . . 0.0 110.393 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.43 -37.9 87.63 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.224 178.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 87.1 mt -61.8 -37.12 83.21 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.594 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.13 -41.04 96.0 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.169 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.95 -40.23 94.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.564 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -66.38 -41.48 89.36 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.721 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 8.5 tp -73.87 -28.74 24.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 120.766 0.317 . . . . 0.0 111.474 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -80.49 -9.81 86.03 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.837 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -85.53 72.74 10.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.92 0.39 . . . . 0.0 110.535 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -137.3 129.67 29.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.455 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -95.49 122.46 38.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.422 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -91.01 102.73 15.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.626 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -90.45 100.91 13.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.485 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -91.04 102.63 15.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.573 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -157.08 160.12 38.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.24 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt . . . . . 0 C--O 1.251 1.135 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.834 -179.961 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.929 0.395 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . -138.1 154.93 23.07 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.7 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -86.76 132.99 33.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.63 0.252 . . . . 0.0 110.655 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.477 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 95.7 mt -126.06 127.48 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.19 178.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 617' ' ' VAL . . . . . 0.559 HG23 ' HB3' ' A' ' 656' ' ' PRO . 87.8 t -110.94 125.0 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.211 0.529 . . . . 0.0 110.595 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.608 HD21 ' HA ' ' A' ' 626' ' ' SER . 60.3 tp -108.2 121.98 45.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.068 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 58.7 t -114.63 108.22 24.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.014 0.435 . . . . 0.0 110.396 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 40.7 t -158.05 138.06 12.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.879 179.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -75.12 -14.76 60.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.403 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -90.21 105.65 17.95 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -67.26 -30.14 69.95 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -178.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.27 92.57 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.895 0.379 . . . . 0.0 111.429 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 85.7 m -69.34 -41.17 76.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.137 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 626' ' ' SER . . . . . 0.608 ' HA ' HD21 ' A' ' 618' ' ' LEU . 66.8 m -61.67 -42.12 98.48 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.028 -179.011 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 88.9 m -63.04 -44.32 96.21 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.942 0.401 . . . . 0.0 110.578 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 66.7 tp -62.33 -47.65 83.31 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.031 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 629' ' ' ILE . . . . . . . . . . . . . 37.4 mm -63.0 -42.97 98.71 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.501 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 51.1 t -59.81 -47.86 84.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.876 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 86.8 p -62.74 -37.24 85.78 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.53 -45.69 97.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 CA-C-O 120.841 0.353 . . . . 0.0 111.765 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 633' ' ' LEU . . . . . 0.5 HD11 HG11 ' A' ' 717' ' ' VAL . 1.1 mp -85.05 -35.85 21.61 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -178.128 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 634' ' ' THR . . . . . 0.627 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 91.0 m -62.46 -45.24 93.97 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -178.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 635' ' ' THR . . . . . 0.822 HG21 ' HA ' ' B' ' 4' ' ' LEU . 0.2 OUTLIER -74.52 -8.31 55.89 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 122.015 -0.428 . . . . 0.0 111.604 -179.229 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -87.32 4.88 41.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.397 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 101.26 -1.54 54.2 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.962 -0.637 . . . . 0.0 113.097 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 638' ' ' TYR . . . . . 0.627 ' O ' ' HA ' ' A' ' 634' ' ' THR . 88.6 m-85 -99.93 152.61 19.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.841 0.353 . . . . 0.0 110.874 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -106.04 111.58 24.27 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 640' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 616' ' ' ILE . 57.7 t -99.07 129.31 49.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -178.037 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 641' ' ' ILE . . . . . 0.589 HD13 HD13 ' A' ' 654' ' ' LEU . 93.9 mt -117.25 124.32 72.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.144 177.624 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 642' ' ' TRP . . . . . 0.489 ' HB3' ' HD3' ' B' ' 43' ' ' LYS . 73.3 t90 -93.28 115.5 28.09 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 61.4 tp -115.07 137.36 52.09 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.735 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 16.7 m -74.12 145.13 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -63.91 152.12 40.7 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -177.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 103.33 -10.29 54.18 Favored Glycine 0 C--N 1.335 0.518 0 CA-C-N 115.465 -0.789 . . . . 0.0 114.131 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -114.56 102.73 10.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 117.842 0.821 . . . . 0.0 113.199 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 96.1 t -83.81 -35.41 11.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.455 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -58.98 -38.56 79.42 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.755 0.312 . . . . 0.0 110.249 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -63.42 -37.66 88.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.041 177.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.683 HD13 HD21 ' A' ' 677' ' ' LEU . 87.6 mt -64.25 -41.09 97.13 Favored 'General case' 0 C--O 1.227 -0.117 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.002 178.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.572 HD21 ' HB3' ' A' ' 680' ' ' ARG . 87.6 mt -68.31 -39.93 81.88 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.448 178.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 653' ' ' ALA . . . . . 0.406 ' HB2' HG13 ' B' ' 22' ' ' VAL . . . -60.98 -40.5 93.68 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.56 179.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 654' ' ' LEU . . . . . 0.653 HD11 HD22 ' B' ' 25' ' ' LEU . 86.2 mt -108.41 29.76 7.07 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.158 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 655' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -29.62 101.56 0.15 Allowed Pre-proline 0 N--CA 1.475 0.805 0 O-C-N 124.468 1.105 . . . . 0.0 113.868 -178.103 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 656' ' ' PRO . . . . . 0.559 ' HB3' HG23 ' A' ' 617' ' ' VAL . 43.8 Cg_endo -87.35 171.76 6.27 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 123.685 2.923 . . . . 0.0 112.817 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 47.0 pt -81.08 -24.26 10.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.482 0.658 . . . . 0.0 109.433 177.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -158.32 152.39 24.0 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.413 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.649 HG13 HD11 ' A' ' 686' ' ' LEU . 19.2 m -121.94 145.63 28.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.794 0.331 . . . . 0.0 110.323 178.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.574 HD23 ' HB2' ' A' ' 689' ' ' PHE . 81.3 mt -118.43 125.34 49.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 661' ' ' LEU . . . . . 0.552 HD13 HG13 ' A' ' 670' ' ' VAL . 70.8 mt -116.31 128.26 55.4 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 178.339 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -111.93 126.92 55.64 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -178.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 663' ' ' GLU . . . . . 0.441 ' HB3' ' HA ' ' A' ' 664' ' ' PRO . 94.9 mt-10 -92.03 160.49 35.57 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.781 178.423 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 664' ' ' PRO . . . . . 0.441 ' HA ' ' HB3' ' A' ' 663' ' ' GLU . 90.6 Cg_endo -81.36 158.28 82.55 Favored 'Cis proline' 0 C--N 1.353 0.815 0 C-N-CA 124.57 -1.013 . . . . 0.0 113.472 -0.494 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -117.32 128.66 55.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.64 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 79.2 p -99.61 -23.42 15.06 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.037 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -129.03 137.31 51.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.616 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 88.49 143.32 9.04 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.51 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 669' ' ' ASP . . . . . 0.661 ' O ' ' HG2' ' A' ' 672' ' ' GLU . 34.0 t70 -96.92 111.38 23.61 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 122.537 -0.39 . . . . 0.0 110.194 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 670' ' ' VAL . . . . . 0.552 HG13 HD13 ' A' ' 661' ' ' LEU . 54.5 t -60.76 -40.64 85.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.734 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -60.93 -39.41 89.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.349 -0.387 . . . . 0.0 112.039 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 672' ' ' GLU . . . . . 0.661 ' HG2' ' O ' ' A' ' 669' ' ' ASP . 10.3 pt-20 -66.73 -35.3 79.79 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.849 0.357 . . . . 0.0 110.144 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 673' ' ' LEU . . . . . 0.419 HD11 HD11 ' A' ' 651' ' ' LEU . 55.6 tp -66.84 -44.82 80.05 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.207 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 68.1 t -62.18 -45.84 97.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.746 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -59.41 -45.54 91.23 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.489 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 676' ' ' GLN . . . . . 0.498 ' O ' ' HG2' ' A' ' 680' ' ' ARG . 76.9 mt-30 -66.18 -41.16 90.66 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 677' ' ' LEU . . . . . 0.683 HD21 HD13 ' A' ' 651' ' ' LEU . 83.5 mt -63.84 -41.1 97.89 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -178.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -68.17 -20.26 64.86 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -92.55 -16.95 25.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.686 0.279 . . . . 0.0 111.196 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 680' ' ' ARG . . . . . 0.572 ' HB3' HD21 ' A' ' 652' ' ' LEU . 41.7 mmt180 -89.5 -40.76 12.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.424 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 74.2 m -131.48 154.86 48.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.74 0.305 . . . . 0.0 111.217 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 58.6 p -75.03 154.14 86.62 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.419 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -61.62 -28.41 82.68 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.374 2.049 . . . . 0.0 113.306 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -73.52 -29.61 62.58 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.81 0.338 . . . . 0.0 110.763 179.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -88.47 -37.55 15.7 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.275 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 686' ' ' LEU . . . . . 0.649 HD11 HG13 ' A' ' 659' ' ' VAL . 62.7 tp -136.73 123.24 20.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.12 0.486 . . . . 0.0 111.357 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 13.2 mtmm -109.45 148.52 31.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.702 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 688' ' ' ILE . . . . . . . . . . . . . 78.5 mt -115.19 124.79 72.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.979 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 689' ' ' PHE . . . . . 0.574 ' HB2' HD23 ' A' ' 660' ' ' LEU . 99.2 m-85 -124.06 142.92 50.77 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.258 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 91.7 mt -120.41 129.25 75.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.007 0.432 . . . . 0.0 111.163 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 691' ' ' LEU . . . . . 0.535 HD23 HD13 ' A' ' 708' ' ' ILE . 7.8 mp -94.88 127.23 40.76 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.404 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 124.81 166.21 12.34 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.543 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 91.2 p -73.56 158.0 35.66 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.471 0.136 . . . . 0.0 110.965 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 55.04 40.68 32.06 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 123.46 0.475 . . . . 0.0 111.38 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . -99.1 15.19 60.77 Favored Glycine 0 CA--C 1.518 0.229 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.868 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -83.63 93.82 7.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.942 0.401 . . . . 0.0 110.915 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -126.29 160.2 31.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.13 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -66.84 141.72 57.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.398 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 85.21 3.07 87.56 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.331 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 65.1 t -110.5 125.57 67.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -65.26 -43.24 91.94 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 46.6 ttt85 -168.27 161.42 12.17 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.81 0.338 . . . . 0.0 111.502 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -118.66 149.48 41.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.066 178.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 5.0 mm -106.53 107.59 60.37 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.932 -179.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -61.14 143.74 98.87 Favored 'Trans proline' 0 N--CA 1.478 0.582 0 C-N-CA 123.142 2.561 . . . . 0.0 113.286 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 706' ' ' LEU . . . . . 0.827 HD23 HG23 ' A' ' 708' ' ' ILE . 88.4 mt -103.2 153.82 38.11 Favored Pre-proline 0 N--CA 1.466 0.36 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.438 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 707' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -71.09 151.17 94.52 Favored 'Cis proline' 0 C--N 1.354 0.836 0 C-N-CA 124.571 -1.012 . . . . 0.0 112.73 -1.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 708' ' ' ILE . . . . . 0.827 HG23 HD23 ' A' ' 706' ' ' LEU . 34.2 pt -107.12 139.21 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.213 0.53 . . . . 0.0 111.91 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -120.6 151.64 54.43 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 177.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -51.03 -41.87 55.0 Favored 'Trans proline' 0 N--CA 1.479 0.649 0 C-N-CA 123.143 2.562 . . . . 0.0 114.505 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.3 -39.55 83.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.642 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 40.1 m -88.55 -41.61 12.59 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 713' ' ' PHE . . . . . 0.434 ' HE1' HD11 ' A' ' 691' ' ' LEU . 83.1 t80 -60.05 -49.48 77.48 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 63.8 tp -62.97 -45.55 91.92 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -66.17 -40.7 90.67 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.656 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -64.72 -42.61 95.12 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.589 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 717' ' ' VAL . . . . . 0.53 ' O ' ' HG ' ' A' ' 721' ' ' LEU . 8.9 p -70.02 -36.51 68.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.941 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 95.3 m -62.61 -45.42 92.97 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.862 0.363 . . . . 0.0 110.792 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 38.9 mmt -62.71 -39.28 93.53 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.064 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -67.94 -21.94 73.68 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.747 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 721' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 717' ' ' VAL . 94.1 mt -91.37 -1.5 57.59 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.169 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 67.3 p -69.2 -26.8 65.01 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 121.026 -0.27 . . . . 0.0 111.231 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 90.5 p -65.58 -23.99 66.97 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.743 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 724' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.3 4.45 41.67 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.124 0.488 . . . . 0.0 110.648 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . 63.77 54.05 1.88 Allowed 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 96.3 m -119.58 125.98 50.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.752 0.311 . . . . 0.0 110.733 178.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 87.2 p -83.55 168.76 16.12 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.383 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -135.81 150.3 49.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.68 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.973 -179.896 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ptm . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 121.073 0.463 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ALA . . . . . 0.402 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . . . -78.86 123.43 85.2 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.032 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' B' ' 2' ' ' ALA . 54.3 Cg_exo -57.35 -36.53 98.89 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 123.007 2.471 . . . . 0.0 113.166 179.45 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.822 ' HA ' HG21 ' A' ' 635' ' ' THR . 1.1 mp -109.46 169.49 8.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.351 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 66.85 26.18 9.38 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.573 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.97 95.59 3.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.313 179.51 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.46 HG21 ' HB ' ' A' ' 634' ' ' THR . 80.9 p -128.26 156.49 42.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.886 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -102.25 142.88 32.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.072 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.5 t -112.74 119.12 59.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -178.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.61 ' HB3' HD11 ' B' ' 65' ' ' LEU . 82.9 mt -108.05 129.88 55.11 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.855 178.001 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.743 ' HB2' ' HB3' ' B' ' 66' ' ' ALA . 68.8 mttm -102.69 136.66 42.11 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.897 0.379 . . . . 0.0 110.942 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 66.4 tp -124.51 120.12 31.09 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -103.81 128.61 51.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.997 178.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.4 m -132.94 164.92 33.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.817 -179.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.464 ' HB1' HD23 ' B' ' 48' ' ' LEU . . . -142.07 143.54 33.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 111.542 -178.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.93 -178.08 53.74 Favored Glycine 0 N--CA 1.452 -0.281 0 CA-C-N 115.842 -0.617 . . . . 0.0 113.135 178.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -122.15 21.06 10.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.797 0.332 . . . . 0.0 110.916 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 64.6 p -71.09 155.2 93.54 Favored Pre-proline 0 C--O 1.235 0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.5 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -55.56 -34.45 89.95 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 123.283 2.655 . . . . 0.0 113.277 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -60.48 -42.63 96.68 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.886 0.374 . . . . 0.0 110.63 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 67.5 m -68.17 -39.89 82.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.506 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.406 HG13 ' HB2' ' A' ' 653' ' ' ALA . 75.9 t -67.74 -44.25 85.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.317 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' B' ' 23' ' ' ARG . 37.6 ttp-105 -64.4 -30.46 71.5 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.883 -179.291 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.87 -40.67 85.08 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.854 -0.157 . . . . 0.0 110.99 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.653 HD22 HD11 ' A' ' 654' ' ' LEU . 59.8 mt -61.82 -43.05 99.62 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.716 0.294 . . . . 0.0 110.73 178.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -64.36 -41.19 96.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.037 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 89.5 m -63.82 -47.83 79.25 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.913 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 86.5 mt -66.95 -39.96 87.42 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.181 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.562 ' O ' ' HG2' ' B' ' 33' ' ' GLU . . . -61.28 -40.02 92.57 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.27 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -59.97 -43.1 95.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.979 0.419 . . . . 0.0 110.754 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.605 HD11 HG13 ' B' ' 86' ' ' VAL . 95.6 mt -69.59 -43.23 80.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.737 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.466 ' HA ' ' HB2' ' B' ' 36' ' ' PHE . 95.1 mt -66.6 -38.36 86.83 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.364 -178.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.562 ' HG2' ' O ' ' B' ' 29' ' ' ALA . 78.4 mm-40 -62.71 -38.23 89.64 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -178.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -88.51 -52.07 5.37 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 114.79 1.404 . . . . 0.0 114.79 -177.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -96.29 -14.69 22.42 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -176.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' B' ' 94' ' ' ALA . 86.0 m-85 -120.33 22.54 11.29 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -177.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' B' ' 33' ' ' GLU . 8.0 ptmm? -67.1 120.37 13.58 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -178.449 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.99 1.35 90.27 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 115.203 0.841 . . . . 0.0 115.203 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.58 HG23 ' HD1' ' B' ' 40' ' ' TYR . 2.6 m -122.53 -27.6 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 118.251 1.026 . . . . 0.0 113.255 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' TYR . . . . . 0.58 ' HD1' HG23 ' B' ' 39' ' ' VAL . 45.7 m-85 -124.42 137.91 54.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.887 0.375 . . . . 0.0 111.874 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.98 151.43 30.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.22 178.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 63.4 tp -112.11 131.81 55.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.091 0.472 . . . . 0.0 112.117 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.489 ' HD3' ' HB3' ' A' ' 642' ' ' TRP . 48.9 mmtm -114.0 129.76 56.58 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 178.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 60.7 t -116.92 122.78 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -178.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.0 mp -123.56 132.94 70.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.704 179.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -92.78 112.62 24.64 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.761 0.315 . . . . 0.0 110.957 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.489 HG22 ' HB2' ' B' ' 54' ' ' ALA . 66.6 t -65.82 -42.3 91.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.145 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.464 HD23 ' HB1' ' B' ' 15' ' ' ALA . 0.2 OUTLIER -62.12 -40.71 96.84 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -178.73 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -70.2 -38.59 75.35 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.806 0.298 . . . . 0.0 111.806 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.522 ' OD1' ' HG2' ' B' ' 52' ' ' GLN . 10.8 t-20 -138.23 85.83 18.01 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 179.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -62.54 -24.64 75.34 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 123.21 2.606 . . . . 0.0 114.162 -178.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.522 ' HG2' ' OD1' ' B' ' 50' ' ' ASN . 26.2 pt20 -67.4 -28.06 67.61 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.104 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 93.5 mt -66.59 -41.45 88.46 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.873 0.368 . . . . 0.0 110.316 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ALA . . . . . 0.489 ' HB2' HG22 ' B' ' 47' ' ' VAL . . . -65.09 -40.06 94.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.462 178.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.31 -36.67 84.47 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.238 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' B' ' 52' ' ' GLN . 96.9 mt-10 -63.97 -38.4 90.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.382 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -98.87 14.96 27.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.524 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 64.2 mttp 56.65 45.28 22.35 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 46.2 mm -104.86 117.9 51.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.7 mp -120.16 9.29 11.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.637 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -148.84 155.7 41.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.804 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 67.5 p -141.51 149.08 52.97 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.8 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -80.3 145.81 72.26 Favored 'Cis proline' 0 C--N 1.349 0.576 0 C-N-CA 123.625 -1.406 . . . . 0.0 112.596 -1.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 97.3 m -128.22 130.73 48.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.874 0.369 . . . . 0.0 111.256 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.61 HD11 ' HB3' ' B' ' 10' ' ' LEU . 61.9 tp -100.0 122.65 43.22 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.779 179.257 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ALA . . . . . 0.743 ' HB3' ' HB2' ' B' ' 11' ' ' LYS . . . -111.56 133.73 53.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.212 0.529 . . . . 0.0 112.255 -178.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.516 ' O ' ' HA ' ' B' ' 73' ' ' VAL . 85.1 tttt -100.23 108.06 20.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.718 178.324 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.445 HG22 ' HG ' ' B' ' 69' ' ' LEU . 5.9 p -102.05 -49.05 10.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.289 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.445 ' HG ' HG22 ' B' ' 68' ' ' VAL . 86.1 mt -134.37 131.8 20.69 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.301 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -77.75 163.84 87.18 Favored 'Cis proline' 0 CA--C 1.533 0.434 0 C-N-CA 123.922 -1.283 . . . . 0.0 112.425 -0.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -72.31 166.2 30.44 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.783 2.322 . . . . 0.0 112.198 178.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.12 160.78 95.17 Favored 'Cis proline' 0 C--N 1.354 0.848 0 C-N-CA 124.431 -1.07 . . . . 0.0 114.411 1.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.516 ' HA ' ' O ' ' B' ' 67' ' ' LYS . 66.7 t -85.43 116.96 29.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.38 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -137.13 162.09 34.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.188 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 35.2 ptt-85 -128.69 146.54 50.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.96 0.409 . . . . 0.0 110.729 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 80.4 mt -117.09 121.09 66.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.438 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 82.9 mt -117.97 124.73 73.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.873 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 172.53 -165.55 38.07 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.182 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -85.21 98.36 10.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.771 0.32 . . . . 0.0 110.486 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 91.2 mt -88.84 -8.8 53.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 70.2 m -66.15 -31.84 72.93 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.324 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -82.2 110.55 17.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.095 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' ARG . . . . . 0.683 ' HA ' HG12 ' B' ' 86' ' ' VAL . 61.3 ttp180 -60.06 -36.77 78.05 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.965 -178.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.42 -43.28 88.59 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.31 -42.39 15.84 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -179.003 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.683 HG12 ' HA ' ' B' ' 83' ' ' ARG . 7.4 p -63.2 -32.19 55.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -178.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 66.0 tp -62.12 -46.12 90.43 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 120.897 0.379 . . . . 0.0 110.134 178.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.02 -47.19 93.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.592 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.57 -42.86 99.81 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -178.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.466 HD13 HG22 ' B' ' 86' ' ' VAL . 4.6 mp -73.12 -38.29 66.36 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -60.26 -34.78 74.2 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.739 0.304 . . . . 0.0 111.18 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' LEU . . . . . 0.642 ' O ' ' HG2' ' B' ' 95' ' ' GLU . 89.5 mt -60.29 -36.92 78.97 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.99 0.424 . . . . 0.0 110.424 179.14 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 88.4 mt -63.57 -36.94 85.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.201 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.557 ' HB2' ' CE2' ' B' ' 36' ' ' PHE . . . -61.38 -41.2 96.72 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -179.041 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 95' ' ' GLU . . . . . 0.642 ' HG2' ' O ' ' B' ' 92' ' ' LEU . 24.0 pt-20 -67.67 -22.91 65.28 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.447 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -66.2 -40.34 90.3 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.239 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.52 HG22 ' O ' ' B' ' 94' ' ' ALA . 13.8 tt -75.56 -27.01 18.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 120.992 0.425 . . . . 0.0 110.855 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -62.12 -37.81 95.1 Favored Glycine 0 C--N 1.337 0.584 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.932 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -88.73 95.88 10.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.338 . . . . 0.0 110.619 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -144.57 160.7 40.72 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.778 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -72.12 129.94 39.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.789 0.328 . . . . 0.0 110.796 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -152.04 159.32 43.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.313 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -157.08 158.77 37.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.169 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -156.19 154.12 30.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.347 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -91.57 97.33 10.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.716 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 48.6 mttp . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.016 -0.993 . . . . 0.0 110.614 179.741 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.957 0.408 . . . . 0.0 110.729 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . -170.19 169.42 42.21 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.552 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -85.7 130.82 34.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.803 0.335 . . . . 0.0 111.042 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.791 HG21 HD13 ' A' ' 633' ' ' LEU . 27.8 mm -118.57 125.85 74.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.309 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 617' ' ' VAL . . . . . 0.654 HG23 ' HB3' ' A' ' 656' ' ' PRO . 91.4 t -123.99 126.26 72.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 178.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.616 HD13 HG21 ' A' ' 629' ' ' ILE . 1.2 tt -123.83 127.83 48.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.043 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 619' ' ' VAL . . . . . 0.472 ' HB ' ' CD2' ' A' ' 661' ' ' LEU . 58.7 t -110.7 112.79 42.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.049 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 42.3 t -164.49 151.39 11.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.028 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 48.2 mp0 -93.76 2.92 56.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.778 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -82.01 107.01 14.38 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.228 0.537 . . . . 0.0 111.146 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 51.1 mp0 -63.74 -36.96 85.59 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.196 -0.911 . . . . 0.0 112.785 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.41 95.2 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 625' ' ' THR . . . . . 0.613 ' O ' ' HB ' ' A' ' 629' ' ' ILE . 21.8 p -75.12 -20.47 59.41 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 179.446 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 626' ' ' SER . . . . . 0.61 ' HA ' ' CZ3' ' A' ' 642' ' ' TRP . 67.2 m -61.49 -48.83 79.27 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.346 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 86.1 m -73.11 -46.84 48.94 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 64.5 tp -65.97 -47.72 73.65 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 629' ' ' ILE . . . . . 0.616 HG21 HD13 ' A' ' 618' ' ' LEU . 1.1 mp -69.41 -41.62 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -177.171 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 90.9 m -62.93 -41.9 99.63 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.76 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 70.4 m -63.57 -41.44 98.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.768 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 632' ' ' ILE . . . . . 0.558 HD13 ' HA ' ' A' ' 710' ' ' PRO . 91.3 mt -61.81 -50.26 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-O 120.871 0.367 . . . . 0.0 111.81 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 633' ' ' LEU . . . . . 0.791 HD13 HG21 ' A' ' 616' ' ' ILE . 75.5 mt -74.02 -39.73 63.39 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 634' ' ' THR . . . . . 0.722 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 92.5 m -64.96 -42.17 94.83 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -177.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 635' ' ' THR . . . . . . . . . . . . . 34.0 p -65.96 -20.51 66.23 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -85.74 3.26 42.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.684 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 100.96 -9.42 58.16 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.925 -0.655 . . . . 0.0 113.071 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 638' ' ' TYR . . . . . 0.722 ' O ' ' HA ' ' A' ' 634' ' ' THR . 87.2 m-85 -83.91 153.58 23.88 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 179.315 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 639' ' ' GLN . . . . . 0.45 ' HG3' ' HA ' ' B' ' 33' ' ' GLU . 24.2 mm100 -112.27 115.7 29.21 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.322 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 640' ' ' VAL . . . . . 0.466 ' HA ' ' O ' ' A' ' 616' ' ' ILE . 48.8 t -101.02 129.43 52.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.331 0.586 . . . . 0.0 112.183 -178.481 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 641' ' ' ILE . . . . . 0.636 HG21 HD13 ' A' ' 654' ' ' LEU . 79.4 mt -117.19 120.39 64.84 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 177.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 642' ' ' TRP . . . . . 0.61 ' CZ3' ' HA ' ' A' ' 626' ' ' SER . 5.5 t-105 -93.46 115.92 28.45 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.986 0.422 . . . . 0.0 110.494 -179.264 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 643' ' ' LEU . . . . . 0.706 HD13 ' HB3' ' A' ' 650' ' ' ARG . 84.7 mt -114.04 141.99 46.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.194 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 24.9 m -76.52 166.27 2.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -75.98 164.54 26.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.223 0.535 . . . . 0.0 112.109 -177.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 81.94 0.75 89.85 Favored Glycine 0 C--N 1.334 0.425 0 CA-C-N 115.39 -0.823 . . . . 0.0 113.793 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 647' ' ' GLU . . . . . 0.437 ' HB3' ' HD3' ' A' ' 650' ' ' ARG . 77.6 mm-40 -114.1 86.58 2.44 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -179.277 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 648' ' ' VAL . . . . . 0.445 HG21 ' OE1' ' A' ' 676' ' ' GLN . 78.6 t -71.12 -38.07 69.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.885 0.374 . . . . 0.0 110.198 177.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 46.4 mp0 -58.83 -38.64 79.15 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.815 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 650' ' ' ARG . . . . . 0.706 ' HB3' HD13 ' A' ' 643' ' ' LEU . 10.9 mpt_? -62.84 -38.72 91.91 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 178.123 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.67 -45.4 86.86 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.476 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 97.3 mt -67.89 -40.62 83.46 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.195 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 653' ' ' ALA . . . . . 0.65 ' HB2' HG13 ' B' ' 22' ' ' VAL . . . -61.5 -39.61 91.61 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.646 179.523 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 654' ' ' LEU . . . . . 0.636 HD13 HG21 ' A' ' 641' ' ' ILE . 75.2 mt -108.89 29.95 6.99 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.995 -178.389 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 655' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -31.09 103.14 0.2 Allowed Pre-proline 0 N--CA 1.477 0.909 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -178.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 656' ' ' PRO . . . . . 0.654 ' HB3' HG23 ' A' ' 617' ' ' VAL . 42.8 Cg_endo -87.35 177.63 3.74 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 123.763 2.975 . . . . 0.0 112.803 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 47.0 pt -81.69 -20.95 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 658' ' ' ALA . . . . . 0.468 ' HB2' HD21 ' A' ' 721' ' ' LEU . . . -153.99 145.51 23.18 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.615 179.448 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.724 HG23 HD11 ' A' ' 686' ' ' LEU . 79.4 t -113.86 124.04 70.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.25 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 2.4 mp -116.72 132.77 56.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.144 0.497 . . . . 0.0 112.003 -179.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 661' ' ' LEU . . . . . 0.472 ' CD2' ' HB ' ' A' ' 619' ' ' VAL . 80.2 mt -116.33 130.6 56.86 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 178.489 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -117.84 138.23 52.24 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.975 0.732 . . . . 0.0 112.975 -178.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 663' ' ' GLU . . . . . 0.428 ' HB3' ' HA ' ' A' ' 664' ' ' PRO . 77.8 mm-40 -82.78 159.58 63.09 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.188 178.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 664' ' ' PRO . . . . . 0.428 ' HA ' ' HB3' ' A' ' 663' ' ' GLU . 8.9 Cg_exo -75.23 142.39 74.37 Favored 'Cis proline' 0 C--N 1.352 0.746 0 C-N-CA 124.615 -0.994 . . . . 0.0 113.353 -0.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -116.0 78.79 1.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.494 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 79.3 p -99.38 -4.82 30.74 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -102.28 -0.83 32.28 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -163.26 165.54 36.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.334 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -96.0 115.32 27.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.605 0.241 . . . . 0.0 110.746 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.04 -43.34 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.551 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -61.38 -38.04 85.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.14 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -60.36 -44.92 95.12 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 85.6 mt -64.04 -41.92 97.23 Favored 'General case' 0 N--CA 1.461 0.075 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 674' ' ' VAL . . . . . 0.404 HG22 HG21 ' A' ' 688' ' ' ILE . 73.2 t -63.01 -46.22 96.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.832 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 675' ' ' ASP . . . . . 0.552 ' O ' ' HG2' ' A' ' 678' ' ' ARG . 37.2 t70 -60.94 -45.23 95.51 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.052 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 676' ' ' GLN . . . . . 0.451 ' HB3' ' NH1' ' A' ' 680' ' ' ARG . 66.1 mt-30 -67.65 -41.04 84.47 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.77 -39.83 95.22 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 678' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' A' ' 675' ' ' ASP . 9.1 ptm180 -66.69 -17.81 65.05 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -89.26 -10.16 47.96 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.954 0.407 . . . . 0.0 110.48 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 680' ' ' ARG . . . . . 0.451 ' NH1' ' HB3' ' A' ' 676' ' ' GLN . 4.8 mpt_? -108.31 -43.44 4.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.256 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 75.5 m -126.32 143.14 51.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.741 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 79.6 p -75.76 150.25 83.86 Favored Pre-proline 0 C--O 1.234 0.277 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.908 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -63.94 -24.81 67.24 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.728 2.285 . . . . 0.0 113.435 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -72.11 -25.87 61.91 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.574 0.226 . . . . 0.0 111.209 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -99.76 -35.3 9.84 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.364 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 686' ' ' LEU . . . . . 0.724 HD11 HG23 ' A' ' 659' ' ' VAL . 67.4 tp -128.01 127.39 43.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.963 0.411 . . . . 0.0 110.622 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -108.67 148.63 30.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.345 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 688' ' ' ILE . . . . . 0.404 HG21 HG22 ' A' ' 674' ' ' VAL . 82.1 mt -116.05 127.21 73.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.296 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -120.44 144.26 48.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.577 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 92.7 mt -119.83 128.41 75.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.009 0.433 . . . . 0.0 111.004 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 691' ' ' LEU . . . . . 0.601 HD11 ' HE1' ' A' ' 713' ' ' PHE . 7.1 mp -96.94 128.22 43.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.169 179.528 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 96.15 169.75 34.87 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.124 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 94.4 p -72.73 155.02 40.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 111.457 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -166.76 -69.19 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.432 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . 160.36 -172.9 36.88 Favored Glycine 0 N--CA 1.45 -0.388 0 N-CA-C 111.431 -0.667 . . . . 0.0 111.431 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -94.46 105.09 17.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 117.021 0.41 . . . . 0.0 110.168 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -125.73 147.5 49.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 0.0 110.953 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -77.01 158.47 30.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.195 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 86.19 3.28 85.04 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.939 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 60.3 t -112.33 121.66 65.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -69.13 -43.68 73.9 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 61.1 ttm-85 -160.5 152.18 19.76 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.877 0.37 . . . . 0.0 111.908 -178.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -110.51 137.59 48.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.369 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 4.7 mp -106.03 111.77 64.36 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.722 0.296 . . . . 0.0 110.356 178.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -73.82 156.58 48.34 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.922 2.415 . . . . 0.0 113.596 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 706' ' ' LEU . . . . . 0.521 ' HA ' ' C ' ' A' ' 707' ' ' PRO . 7.5 mp -114.51 160.25 33.76 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.851 179.371 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 707' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 706' ' ' LEU . 51.1 Cg_exo -58.89 143.79 28.92 Favored 'Cis proline' 0 C--N 1.356 0.928 0 C-N-CA 124.753 -0.936 . . . . 0.0 113.577 0.585 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 708' ' ' ILE . . . . . 0.586 HD13 HD11 ' A' ' 629' ' ' ILE . 15.9 tt -85.86 132.61 31.6 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.323 -179.235 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -114.97 146.08 35.41 Favored Pre-proline 0 C--N 1.327 -0.408 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 710' ' ' PRO . . . . . 0.558 ' HA ' HD13 ' A' ' 632' ' ' ILE . 8.4 Cg_endo -54.23 -58.04 1.52 Allowed 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.947 2.431 . . . . 0.0 114.133 -178.711 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -63.28 -40.72 98.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.96 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 69.1 m -63.19 -48.8 76.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.739 -178.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 713' ' ' PHE . . . . . 0.601 ' HE1' HD11 ' A' ' 691' ' ' LEU . 69.7 t80 -61.28 -50.68 72.03 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 714' ' ' LEU . . . . . 0.479 HD12 HD23 ' A' ' 633' ' ' LEU . 1.3 tt -64.12 -46.59 83.46 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -178.316 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -66.92 -40.47 87.64 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -178.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -64.48 -43.79 93.04 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 120.778 0.323 . . . . 0.0 110.747 -179.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 717' ' ' VAL . . . . . 0.429 ' O ' ' HG ' ' A' ' 721' ' ' LEU . 65.3 t -66.27 -43.31 91.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.065 179.19 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 92.4 m -60.83 -46.42 90.61 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.114 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 65.2 ttp -63.04 -40.45 97.74 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.863 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -66.05 -21.03 69.47 Favored Glycine 0 CA--C 1.523 0.557 0 C-N-CA 120.968 -0.634 . . . . 0.0 113.067 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 721' ' ' LEU . . . . . 0.468 HD21 ' HB2' ' A' ' 658' ' ' ALA . 94.5 mt -82.55 -5.89 59.02 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.36 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 77.3 p -71.32 -17.37 62.45 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.739 0.304 . . . . 0.0 111.621 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 60.3 m -91.55 0.9 57.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.388 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 724' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.59 129.24 35.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.869 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -71.7 139.23 49.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.886 0.374 . . . . 0.0 111.145 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 68.6 p -128.45 160.12 33.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.934 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 61.0 m -128.7 148.35 50.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.599 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . 62.22 -95.81 0.05 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.782 0.676 . . . . 0.0 111.725 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.772 -179.744 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 120.968 0.413 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.84 121.41 77.58 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.161 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -71.12 148.35 56.13 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.617 2.211 . . . . 0.0 112.704 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 mp 60.73 39.37 17.48 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.256 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -130.41 24.1 5.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.679 0.276 . . . . 0.0 110.63 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -124.59 109.64 13.44 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.137 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.536 HG21 ' HB ' ' A' ' 634' ' ' THR . 77.9 p -131.12 159.81 36.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.277 -0.419 . . . . 0.0 109.885 178.403 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.83 153.96 17.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.361 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 62.5 t -120.35 123.79 71.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.863 0.363 . . . . 0.0 111.098 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 67.7 tp -105.75 124.64 49.9 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.473 ' HE3' ' HB3' ' B' ' 66' ' ' ALA . 61.6 pttt -107.95 145.6 33.61 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.58 0.705 . . . . 0.0 112.221 -179.029 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.616 ' CD2' ' HG ' ' B' ' 65' ' ' LEU . 72.9 mt -123.76 124.62 43.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.112 -178.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -99.38 120.78 40.15 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.83 166.59 27.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.347 -179.153 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.71 134.71 39.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.027 0.442 . . . . 0.0 111.979 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLY . . . . . 0.456 ' N ' HD12 ' B' ' 48' ' ' LEU . . . 80.04 178.11 51.36 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.547 -0.751 . . . . 0.0 113.857 177.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 31.3 p-10 -118.08 22.49 12.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.877 0.37 . . . . 0.0 110.835 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 60.9 p -69.7 156.74 91.16 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.503 -179.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -54.87 -36.66 92.07 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 123.181 2.587 . . . . 0.0 113.41 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -61.33 -40.74 95.36 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.848 0.356 . . . . 0.0 110.742 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 66.6 m -69.07 -39.6 79.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.06 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.65 HG13 ' HB2' ' A' ' 653' ' ' ALA . 61.2 t -64.53 -46.72 91.82 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.508 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -63.6 -37.27 86.68 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.75 -39.75 85.83 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.9 0.381 . . . . 0.0 111.445 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.56 HD12 HD11 ' A' ' 654' ' ' LEU . 0.3 OUTLIER -69.49 -34.67 74.66 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.006 0.431 . . . . 0.0 111.286 179.316 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.555 ' HG3' ' O ' ' B' ' 22' ' ' VAL . 29.6 mtpt -67.03 -38.74 86.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.936 -178.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 74.5 p -68.12 -39.69 82.69 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.424 HD22 HD11 ' B' ' 12' ' ' LEU . 0.3 OUTLIER -68.62 -41.92 78.82 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 121.205 -0.198 . . . . 0.0 110.688 179.311 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.67 -40.9 98.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.811 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -62.04 -44.73 96.07 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.94 0.4 . . . . 0.0 111.345 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -69.19 -41.25 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.699 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.681 HD12 ' HB2' ' B' ' 36' ' ' PHE . 62.5 tp -64.34 -42.59 96.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.84 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.506 ' O ' ' HB3' ' B' ' 37' ' ' LYS . 14.3 tm-20 -62.3 -39.18 92.16 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -178.408 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -97.05 -57.21 2.33 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -178.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -69.7 -38.84 77.13 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -177.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' PHE . . . . . 0.681 ' HB2' HD12 ' B' ' 32' ' ' LEU . 88.9 m-85 -117.67 34.66 5.04 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -176.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.506 ' HB3' ' O ' ' B' ' 33' ' ' GLU . 7.3 ptmm? -68.4 127.63 33.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.938 0.399 . . . . 0.0 111.314 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.19 6.69 88.58 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 121.09 -0.576 . . . . 0.0 113.187 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 59.1 t -98.45 -52.02 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.774 0.287 . . . . 0.0 111.753 -179.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -152.18 165.59 34.35 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 121.34 0.591 . . . . 0.0 112.528 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.56 154.0 20.47 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 114.99 -1.004 . . . . 0.0 111.0 -179.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 47.3 tp -110.69 138.17 47.43 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.861 0.362 . . . . 0.0 111.91 -178.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' B' ' 11' ' ' LYS . 40.9 ttmt -127.78 134.18 49.48 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.263 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.535 HG21 HD11 ' B' ' 25' ' ' LEU . 58.7 t -120.67 127.44 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-O 121.014 0.435 . . . . 0.0 112.054 -178.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 81.9 mt -122.84 132.41 71.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.511 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -94.43 114.25 26.24 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 34.4 m -65.55 -32.04 56.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 113.356 0.872 . . . . 0.0 113.356 -178.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.456 HD12 ' N ' ' B' ' 16' ' ' GLY . 85.3 mt -67.83 -37.5 81.99 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 122.257 -0.277 . . . . 0.0 111.699 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 29.7 tptp -68.62 -39.61 80.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.057 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.591 ' OD1' ' HG2' ' B' ' 52' ' ' GLN . 22.5 t-20 -134.73 82.07 45.41 Favored Pre-proline 0 C--N 1.33 -0.252 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.254 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -55.96 -32.96 87.68 Favored 'Trans proline' 0 N--CA 1.48 0.734 0 C-N-CA 123.975 3.117 . . . . 0.0 114.992 -177.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.591 ' HG2' ' OD1' ' B' ' 50' ' ' ASN . 25.3 pt20 -63.13 -26.91 69.04 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -178.561 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.78 -41.84 87.04 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.916 0.388 . . . . 0.0 110.721 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.74 -38.63 87.03 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.815 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.87 -27.22 68.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.787 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' B' ' 52' ' ' GLN . 97.1 mt-10 -66.05 -38.58 88.71 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.304 -179.267 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -107.25 13.03 27.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.633 0.254 . . . . 0.0 111.203 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 54.74 44.78 27.98 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.232 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 88.7 mt -98.51 112.12 29.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.934 0.397 . . . . 0.0 109.968 179.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 83.3 mt -111.79 8.35 20.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.952 -178.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -139.17 150.91 46.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.672 0.272 . . . . 0.0 111.213 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 69.8 p -142.64 155.0 63.66 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.622 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -76.91 146.98 85.27 Favored 'Cis proline' 0 C--N 1.351 0.705 0 C-N-CA 123.887 -1.297 . . . . 0.0 112.773 -1.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' THR . . . . . 0.416 HG23 HG23 ' B' ' 77' ' ' ILE . 98.7 m -134.23 137.01 44.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.843 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.616 ' HG ' ' CD2' ' B' ' 12' ' ' LEU . 5.2 mp -98.69 117.38 33.02 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 177.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 66' ' ' ALA . . . . . 0.473 ' HB3' ' HE3' ' B' ' 11' ' ' LYS . . . -110.0 145.02 37.7 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 -177.23 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.644 ' CB ' ' HB ' ' B' ' 73' ' ' VAL . 21.9 ptmt -73.22 148.14 44.0 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.375 -0.83 . . . . 0.0 112.303 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.584 HG22 ' HG ' ' B' ' 69' ' ' LEU . 0.1 OUTLIER -148.08 -67.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 114.981 -1.009 . . . . 0.0 108.563 177.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.584 ' HG ' HG22 ' B' ' 68' ' ' VAL . 3.5 pp -161.84 150.28 12.6 Favored Pre-proline 0 CA--C 1.532 0.257 0 N-CA-C 111.549 0.203 . . . . 0.0 111.549 177.544 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 70' ' ' PRO . . . . . 0.514 ' HA ' ' HD3' ' B' ' 71' ' ' PRO . 71.8 Cg_endo -77.96 127.89 15.68 Favored 'Cis proline' 0 C--N 1.354 0.834 0 C-N-CA 123.214 -1.578 . . . . 0.0 112.243 -0.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 71' ' ' PRO . . . . . 0.514 ' HD3' ' HA ' ' B' ' 70' ' ' PRO . 26.4 Cg_exo -64.89 144.92 84.67 Favored 'Trans proline' 0 CA--C 1.534 0.52 0 C-N-CA 122.702 2.268 . . . . 0.0 112.254 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' B' ' 71' ' ' PRO . 67.2 Cg_endo -92.63 130.56 6.25 Favored 'Cis proline' 0 CA--C 1.537 0.627 0 C-N-CA 123.886 -1.297 . . . . 0.0 113.374 -1.212 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.644 ' HB ' ' CB ' ' B' ' 67' ' ' LYS . 61.9 t -97.2 142.64 13.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.069 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -87.59 123.35 32.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.023 -0.423 . . . . 0.0 110.73 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -71.45 142.71 50.22 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.132 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' ILE . . . . . 0.866 HD13 ' HB1' ' B' ' 89' ' ' ALA . 79.5 mt -122.91 128.6 75.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.788 0.327 . . . . 0.0 111.355 -179.066 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 77' ' ' ILE . . . . . 0.416 HG23 HG23 ' B' ' 64' ' ' THR . 0.6 OUTLIER -128.23 133.83 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.283 179.14 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.02 -165.01 34.58 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.278 -0.963 . . . . 0.0 112.778 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -85.93 108.46 18.19 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 94.2 mt -89.26 -1.53 58.11 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 87.4 p -70.47 -20.03 62.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.036 0.446 . . . . 0.0 110.571 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -92.97 113.29 25.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.065 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -59.85 -37.06 78.19 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.82 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -58.31 -45.61 87.69 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.648 0.261 . . . . 0.0 111.324 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.18 -37.94 72.16 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.409 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 75.3 t -61.87 -43.82 97.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.473 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.501 ' O ' ' HG2' ' B' ' 91' ' ' ARG . 64.2 tp -60.71 -45.43 94.24 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.591 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 91.6 mt -61.1 -46.94 95.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.931 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' ALA . . . . . 0.866 ' HB1' HD13 ' B' ' 76' ' ' ILE . . . -63.27 -41.45 99.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.016 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 6.9 mp -68.66 -34.56 75.92 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.922 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' B' ' 87' ' ' LEU . 28.3 mmm180 -62.54 -37.25 85.38 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.733 0.301 . . . . 0.0 110.482 179.276 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.15 -39.03 91.25 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.123 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 94.5 mt -63.51 -38.04 89.61 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.504 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.486 ' O ' HG22 ' B' ' 97' ' ' ILE . . . -60.94 -39.45 89.52 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.368 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 95' ' ' GLU . . . . . 0.403 ' HG2' ' CD2' ' B' ' 100' ' ' TYR . 88.6 tt0 -62.5 -42.31 99.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.616 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -64.47 -43.4 94.32 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.65 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.486 HG22 ' O ' ' B' ' 94' ' ' ALA . 15.7 tt -68.79 -22.15 26.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-O 120.868 0.366 . . . . 0.0 111.134 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -73.56 -8.99 77.65 Favored Glycine 0 CA--C 1.52 0.393 0 CA-C-N 116.075 -0.511 . . . . 0.0 113.003 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 31.1 t0 60.39 53.7 4.17 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.027 0.441 . . . . 0.0 111.179 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 100' ' ' TYR . . . . . 0.403 ' CD2' ' HG2' ' B' ' 95' ' ' GLU . 37.1 p90 -72.36 157.86 36.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.09 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.81 154.88 38.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.784 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -156.02 161.19 40.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.217 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -90.63 106.96 18.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.692 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -63.42 -41.69 98.71 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 28.8 t0 55.36 44.56 27.05 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.053 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 50.3 mmtm . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.598 179.535 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 46.3 mp0 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.976 0.417 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . 95.95 161.11 33.03 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.809 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -95.62 151.03 19.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.961 0.41 . . . . 0.0 111.321 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.56 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 96.9 mt -128.25 133.24 67.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.891 -179.377 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 98.4 t -108.14 124.97 64.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 121.089 0.471 . . . . 0.0 110.151 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.497 HD21 ' HA ' ' A' ' 626' ' ' SER . 57.2 tp -108.84 123.57 49.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.808 -179.172 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 57.8 t -114.79 114.28 46.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.091 0.472 . . . . 0.0 109.883 179.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 46.9 t -160.22 146.95 15.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.782 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 621' ' ' GLU . . . . . 0.518 ' HG3' ' CD1' ' A' ' 667' ' ' TYR . 78.0 mm-40 -90.18 -7.96 52.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.799 0.333 . . . . 0.0 110.764 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -95.4 108.3 20.49 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.926 0.393 . . . . 0.0 110.115 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -62.59 -39.72 94.63 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -178.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -60.24 -46.61 89.19 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -178.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 92.4 m -67.34 -41.53 85.04 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.112 0.482 . . . . 0.0 110.483 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 626' ' ' SER . . . . . 0.497 ' HA ' HD21 ' A' ' 618' ' ' LEU . 70.0 m -62.43 -41.28 98.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.433 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 88.9 m -64.02 -42.74 97.02 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.048 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.45 -50.54 73.17 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.13 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 629' ' ' ILE . . . . . 0.436 ' HA ' HD12 ' A' ' 632' ' ' ILE . 72.8 mt -66.51 -34.52 70.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.457 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 42.0 t -53.95 -50.17 67.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.097 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 89.3 p -68.13 -35.26 77.82 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 120.774 0.321 . . . . 0.0 110.634 178.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 632' ' ' ILE . . . . . 0.436 HD12 ' HA ' ' A' ' 629' ' ' ILE . 74.6 mt -60.6 -47.66 91.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 112.085 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 633' ' ' LEU . . . . . 0.5 ' HB2' HG21 ' A' ' 640' ' ' VAL . 90.0 mt -87.78 -39.53 14.82 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -179.078 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 634' ' ' THR . . . . . 0.641 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 92.7 m -63.45 -45.02 92.79 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -177.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 635' ' ' THR . . . . . . . . . . . . . 1.4 m -73.72 -14.92 61.22 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.949 0.404 . . . . 0.0 111.32 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -81.96 0.61 39.23 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.443 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 102.07 3.09 51.69 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.879 -0.677 . . . . 0.0 113.025 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 638' ' ' TYR . . . . . 0.641 ' O ' ' HA ' ' A' ' 634' ' ' THR . 96.8 m-85 -100.17 151.86 20.93 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -105.26 113.66 27.38 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 640' ' ' VAL . . . . . 0.56 ' HA ' ' O ' ' A' ' 616' ' ' ILE . 61.8 t -107.83 130.85 59.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -177.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 641' ' ' ILE . . . . . 0.538 HG21 HD13 ' A' ' 654' ' ' LEU . 87.3 mt -117.28 126.32 74.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 177.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 642' ' ' TRP . . . . . 0.515 ' HB3' ' HG2' ' B' ' 43' ' ' LYS . 82.3 t90 -95.1 121.83 37.13 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.751 0.31 . . . . 0.0 110.726 -179.326 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.24 142.27 47.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 -179.526 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 13.1 m -77.35 151.22 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -67.1 151.11 48.2 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -178.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 102.96 -9.37 55.0 Favored Glycine 0 C--N 1.338 0.64 0 N-CA-C 114.993 0.757 . . . . 0.0 114.993 178.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -114.39 106.44 14.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 118.261 1.031 . . . . 0.0 112.812 -179.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 90.6 t -84.11 -41.21 16.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 49.3 mp0 -59.55 -39.23 83.33 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.862 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -64.27 -37.46 87.58 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 178.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.411 ' HA ' HD22 ' A' ' 651' ' ' LEU . 0.3 OUTLIER -65.61 -42.55 91.47 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.729 178.64 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 92.9 mt -65.99 -39.33 90.23 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.665 178.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 653' ' ' ALA . . . . . 0.749 ' HB2' HG13 ' B' ' 22' ' ' VAL . . . -59.08 -39.9 83.55 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.009 179.063 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 654' ' ' LEU . . . . . 0.538 HD13 HG21 ' A' ' 641' ' ' ILE . 90.0 mt -108.57 30.02 6.86 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.074 -179.519 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 655' ' ' THR . . . . . . . . . . . . . 5.6 t -46.9 108.26 0.83 Allowed Pre-proline 0 N--CA 1.468 0.463 0 CA-C-O 121.8 0.809 . . . . 0.0 112.914 -178.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 656' ' ' PRO . . . . . 0.625 ' HD2' HD11 ' A' ' 686' ' ' LEU . 39.8 Cg_endo -88.65 -170.34 0.49 Allowed 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 123.991 3.127 . . . . 0.0 112.766 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 46.9 pt -81.09 -25.69 10.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.447 0.642 . . . . 0.0 109.492 177.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -158.68 154.43 26.39 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.216 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.586 HG13 HD21 ' A' ' 686' ' ' LEU . 30.1 m -121.11 149.0 24.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.941 0.4 . . . . 0.0 110.992 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.593 HD23 ' HB2' ' A' ' 689' ' ' PHE . 73.6 mt -116.02 119.33 35.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.444 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 77.9 mt -112.99 127.24 56.17 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -109.88 132.86 53.77 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -84.26 159.27 59.61 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.199 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 664' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -82.56 157.58 77.36 Favored 'Cis proline' 0 C--N 1.352 0.714 0 C-N-CA 124.328 -1.113 . . . . 0.0 113.605 -0.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -103.93 80.28 1.73 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.186 178.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 81.7 p -94.13 -7.86 41.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.848 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 667' ' ' TYR . . . . . 0.518 ' CD1' ' HG3' ' A' ' 621' ' ' GLU . 95.5 m-85 -103.86 4.13 34.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.718 0.294 . . . . 0.0 111.578 -179.635 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 177.53 170.09 39.41 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.902 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 669' ' ' ASP . . . . . 0.678 ' O ' ' HG2' ' A' ' 672' ' ' GLU . 47.8 t0 -93.99 110.26 21.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 117.009 0.405 . . . . 0.0 110.576 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 13.1 p -59.79 -30.9 46.11 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-O 120.908 0.385 . . . . 0.0 111.044 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -64.85 -39.02 92.89 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.555 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 672' ' ' GLU . . . . . 0.678 ' HG2' ' O ' ' A' ' 669' ' ' ASP . 12.2 pt-20 -71.97 -35.42 69.52 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.859 -179.324 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 59.8 tp -67.26 -45.57 76.25 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.345 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 12.5 p -65.43 -39.19 84.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -62.73 -45.44 92.7 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.007 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -64.91 -41.01 95.94 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.284 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.07 -39.87 95.02 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.766 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -62.64 -38.9 92.08 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.785 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -65.61 -36.56 84.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.634 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 14.0 mmp_? -87.2 -40.23 14.76 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.214 0.449 . . . . 0.0 112.214 -178.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 75.9 m -124.55 136.15 53.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.806 0.336 . . . . 0.0 111.489 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 61.4 p -73.06 158.46 87.04 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.656 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -54.27 -37.59 88.32 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 122.797 2.332 . . . . 0.0 113.416 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -73.63 -33.71 64.67 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.119 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -72.21 -38.21 69.06 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 120.778 0.323 . . . . 0.0 111.324 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 686' ' ' LEU . . . . . 0.625 HD11 ' HD2' ' A' ' 656' ' ' PRO . 3.8 tt -148.25 132.63 17.56 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.252 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 687' ' ' LYS . . . . . 0.531 ' HD2' HD23 ' A' ' 721' ' ' LEU . 68.8 mttm -104.33 145.21 30.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.036 0.446 . . . . 0.0 111.194 -179.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 688' ' ' ILE . . . . . . . . . . . . . 26.0 mm -107.73 123.35 63.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.653 -178.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 689' ' ' PHE . . . . . 0.593 ' HB2' HD23 ' A' ' 660' ' ' LEU . 94.4 m-85 -117.76 135.61 53.93 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 178.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 86.0 mt -119.79 130.06 74.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.043 0.449 . . . . 0.0 110.602 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 691' ' ' LEU . . . . . 0.544 HD11 ' HE1' ' A' ' 713' ' ' PHE . 6.2 mp -100.32 130.84 46.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.185 -179.302 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 72.89 26.81 70.23 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.88 -0.676 . . . . 0.0 113.539 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 87.2 p -72.01 156.45 39.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.747 0.308 . . . . 0.0 111.506 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -64.7 -41.72 95.82 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.884 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . -174.42 -168.44 35.23 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.779 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -63.54 128.1 34.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.808 0.337 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -125.46 133.37 52.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.365 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -61.72 134.88 57.3 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.011 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 97.28 -5.38 62.91 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.206 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 70.1 t -109.2 126.28 66.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -62.37 -46.38 88.93 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.02 -179.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -161.48 152.24 18.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.84 0.352 . . . . 0.0 110.998 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -120.24 149.59 42.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.005 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 704' ' ' ILE . . . . . 0.453 ' HB ' ' HG ' ' A' ' 691' ' ' LEU . 28.6 mm -103.86 112.96 65.77 Favored Pre-proline 0 C--N 1.328 -0.348 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.322 -179.418 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -72.8 153.98 53.68 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.688 2.258 . . . . 0.0 112.785 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 706' ' ' LEU . . . . . 0.496 ' HA ' ' C ' ' A' ' 707' ' ' PRO . 5.0 mp -110.91 158.93 34.35 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.414 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 707' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 706' ' ' LEU . 37.7 Cg_endo -64.22 150.3 71.77 Favored 'Cis proline' 0 C--N 1.354 0.838 0 C-N-CA 124.001 -1.25 . . . . 0.0 113.23 1.182 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 708' ' ' ILE . . . . . 0.438 HD12 HD23 ' A' ' 691' ' ' LEU . 12.8 tt -86.25 127.55 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.754 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -118.6 147.89 43.04 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -53.4 -57.5 1.93 Allowed 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.866 2.378 . . . . 0.0 113.848 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.38 -40.1 95.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 70.3 m -62.43 -47.15 85.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.289 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 713' ' ' PHE . . . . . 0.544 ' HE1' HD11 ' A' ' 691' ' ' LEU . 86.9 t80 -60.15 -49.24 78.4 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.169 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 62.5 tp -61.08 -44.23 97.69 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.683 -179.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -64.1 -44.12 93.27 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 111.542 0.201 . . . . 0.0 111.542 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -66.27 -41.91 89.23 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 717' ' ' VAL . . . . . . . . . . . . . 9.9 p -69.09 -38.39 78.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.863 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 90.9 m -64.89 -43.27 93.44 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.092 0.472 . . . . 0.0 110.456 178.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 65.8 ttp -61.41 -43.13 99.4 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.859 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -65.37 -25.01 71.08 Favored Glycine 0 CA--C 1.522 0.507 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.829 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 721' ' ' LEU . . . . . 0.531 HD23 ' HD2' ' A' ' 687' ' ' LYS . 95.5 mt -87.8 -0.95 57.62 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -179.119 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 70.4 p -65.14 -28.04 69.15 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 73.4 m -64.95 -41.66 95.3 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 120.85 0.357 . . . . 0.0 110.299 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 724' ' ' LEU . . . . . . . . . . . . . 65.8 tp -66.5 -46.66 75.5 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.879 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -155.91 153.74 30.12 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.346 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 69.3 p -72.1 148.75 45.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 111.416 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 5.6 t -163.57 -171.86 2.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.101 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -110.61 134.68 52.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.691 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.138 -0.934 . . . . 0.0 111.018 -179.692 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.2 mmt . . . . . 0 N--CA 1.489 1.476 0 CA-C-O 121.018 0.437 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.0 116.8 66.17 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.017 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -77.3 62.58 7.63 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.91 2.407 . . . . 0.0 112.969 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.8 mp -102.21 17.12 24.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? -128.31 32.64 4.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.7 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.01 97.03 6.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.949 0.404 . . . . 0.0 111.84 -178.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 72.5 p -130.49 159.03 38.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.522 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.89 ' HB3' ' HB3' ' B' ' 40' ' ' TYR . . . -96.47 141.72 29.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.822 0.344 . . . . 0.0 110.517 179.333 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 65.2 t -102.35 106.57 20.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-O 121.231 0.538 . . . . 0.0 111.448 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 58.7 tp -103.95 124.23 48.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.755 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.415 ' HG2' ' HB2' ' B' ' 43' ' ' LYS . 99.0 mttt -109.75 145.64 36.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.484 0.659 . . . . 0.0 112.339 -179.171 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 58.2 tp -127.01 121.02 30.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.584 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -100.55 123.67 45.07 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 178.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.473 HG12 ' HB3' ' B' ' 63' ' ' PRO . 15.4 m -137.95 169.0 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.837 ' HB1' ' HB2' ' B' ' 48' ' ' LEU . . . -140.37 134.62 31.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.851 0.358 . . . . 0.0 111.471 -179.195 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.12 171.08 47.52 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 121.029 -0.605 . . . . 0.0 113.902 178.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 38.9 p-10 -113.59 23.94 12.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.195 0.521 . . . . 0.0 110.118 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 52.5 p -69.03 158.3 86.88 Favored Pre-proline 0 C--O 1.235 0.307 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.503 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -53.6 -36.31 80.39 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 123.21 2.606 . . . . 0.0 113.487 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -60.63 -43.13 97.88 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.863 0.363 . . . . 0.0 110.832 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 66.6 m -69.5 -39.65 77.48 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.197 0.522 . . . . 0.0 110.077 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.749 HG13 ' HB2' ' A' ' 653' ' ' ALA . 56.0 t -63.64 -47.24 92.15 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.766 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 91.7 mtm180 -65.56 -36.99 85.4 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.38 -40.43 86.49 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.607 0.241 . . . . 0.0 110.866 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.509 HD22 HD11 ' A' ' 654' ' ' LEU . 78.3 mt -61.93 -41.54 98.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.038 178.727 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -63.59 -40.38 96.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.918 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 77.2 p -69.3 -41.44 76.77 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.804 -0.359 . . . . 0.0 111.102 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.555 HD21 HD23 ' B' ' 80' ' ' LEU . 81.2 mt -67.53 -42.38 82.84 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.443 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.54 -43.27 97.61 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -62.53 -47.21 84.92 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.814 0.34 . . . . 0.0 111.363 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.785 HD11 ' HG3' ' B' ' 83' ' ' ARG . 97.7 mt -67.28 -41.97 87.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.069 0.462 . . . . 0.0 110.978 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' B' ' 28' ' ' LEU . 3.8 tp -64.36 -49.05 73.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.718 -179.24 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.61 ' O ' ' HB2' ' B' ' 37' ' ' LYS . 14.7 tm-20 -70.33 -40.93 73.84 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -179.089 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -80.94 -40.14 24.99 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 -176.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -87.37 -49.11 7.45 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -177.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -132.51 69.35 1.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -178.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.61 ' HB2' ' O ' ' B' ' 33' ' ' GLU . 39.9 ttpt -80.56 133.03 35.73 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.61 -9.4 73.8 Favored Glycine 0 C--N 1.334 0.444 0 N-CA-C 115.52 0.968 . . . . 0.0 115.52 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 29.1 m -93.91 -27.71 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 118.428 1.114 . . . . 0.0 111.955 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' TYR . . . . . 0.89 ' HB3' ' HB3' ' B' ' 8' ' ' ALA . 0.1 OUTLIER -152.52 165.71 34.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.283 0.563 . . . . 0.0 112.059 179.612 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.85 157.8 35.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.976 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 66.7 tp -113.26 119.84 39.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.999 0.428 . . . . 0.0 111.749 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.515 ' HG2' ' HB3' ' A' ' 642' ' ' TRP . 60.3 mttp -100.86 133.39 45.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.527 177.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 59.1 t -116.64 125.87 73.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.879 0.371 . . . . 0.0 111.645 -178.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 84.0 mt -121.45 132.9 69.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.078 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -91.83 103.84 16.34 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.768 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 28.5 m -82.84 -14.63 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.837 ' HB2' ' HB1' ' B' ' 15' ' ' ALA . 59.0 tp -65.88 -45.02 83.59 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 120.635 0.255 . . . . 0.0 111.634 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -72.53 -26.43 61.75 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.892 0.377 . . . . 0.0 111.519 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.683 ' OD1' ' HG ' ' B' ' 53' ' ' LEU . 16.9 t-20 -132.74 85.09 48.11 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -179.355 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -55.49 -35.43 92.27 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.75 2.967 . . . . 0.0 114.643 -178.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.485 ' HG2' ' OD1' ' B' ' 50' ' ' ASN . 16.2 pm0 -64.42 -22.41 66.95 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -178.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.683 ' HG ' ' OD1' ' B' ' 50' ' ' ASN . 85.5 mt -63.62 -43.07 97.95 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.051 178.043 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.31 -39.98 85.98 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.641 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.91 -36.12 82.91 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.106 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -62.92 -39.73 95.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.665 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -96.73 10.15 39.6 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.189 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 59.0 mtmt 54.73 44.74 28.05 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.087 0.555 . . . . 0.0 112.356 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 92.7 mt -109.45 121.75 62.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 87.6 mt -112.5 5.33 17.93 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -143.61 144.94 32.13 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 73.9 p -135.71 155.14 78.34 Favored Pre-proline 0 N--CA 1.464 0.237 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.739 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' PRO . . . . . 0.473 ' HB3' HG12 ' B' ' 14' ' ' VAL . 59.8 Cg_endo -71.41 149.9 92.88 Favored 'Cis proline' 0 C--N 1.353 0.769 0 C-N-CA 123.835 -1.319 . . . . 0.0 113.179 -0.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.58 127.47 45.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.79 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 24.5 tp -99.39 121.07 40.61 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -117.62 139.24 51.26 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -178.023 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -105.38 121.56 44.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.348 178.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.531 HG12 ' HG ' ' B' ' 69' ' ' LEU . 47.2 t -107.72 -58.92 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.557 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.531 ' HG ' HG12 ' B' ' 68' ' ' VAL . 84.6 mt -130.92 142.81 46.91 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.871 -179.503 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -77.92 156.39 94.83 Favored 'Cis proline' 0 C--N 1.347 0.447 0 C-N-CA 123.544 -1.44 . . . . 0.0 111.967 -1.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.88 165.27 33.24 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 122.742 2.295 . . . . 0.0 112.314 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -71.33 156.58 96.65 Favored 'Cis proline' 0 C--N 1.352 0.739 0 C-N-CA 124.188 -1.172 . . . . 0.0 114.02 1.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 27.4 m -76.11 155.35 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.072 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -151.11 153.82 35.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.455 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -128.86 131.21 47.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.476 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 82.5 mt -115.71 123.21 70.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.892 0.377 . . . . 0.0 110.549 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 80.7 mt -116.27 124.65 72.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.062 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 175.38 -168.86 41.51 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.134 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -88.24 99.97 12.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.771 0.319 . . . . 0.0 110.513 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.555 HD23 HD21 ' B' ' 28' ' ' LEU . 5.6 mp -83.74 -6.87 59.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.313 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 67.0 m -65.33 -32.62 74.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.052 0.453 . . . . 0.0 110.573 178.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 62.7 t-20 -83.75 117.69 23.41 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.396 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' ARG . . . . . 0.785 ' HG3' HD11 ' B' ' 31' ' ' ILE . 44.3 ttm180 -60.24 -37.07 79.23 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.535 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.69 -45.41 89.53 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.712 0.291 . . . . 0.0 111.166 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' LYS . . . . . 0.517 ' HA ' HD12 ' B' ' 88' ' ' ILE . 30.0 mtpp -68.58 -34.23 75.44 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.315 -0.402 . . . . 0.0 112.033 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 72.2 t -59.94 -43.15 91.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' B' ' 87' ' ' LEU . 0.2 OUTLIER -58.69 -39.4 80.61 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.052 0.453 . . . . 0.0 110.072 178.676 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 88' ' ' ILE . . . . . 0.517 HD12 ' HA ' ' B' ' 85' ' ' LYS . 92.3 mt -62.05 -48.68 87.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.715 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -86.23 -44.18 12.37 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 -177.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.427 HD21 HD12 ' B' ' 32' ' ' LEU . 25.8 tp -65.94 -39.59 90.63 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -176.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 37.7 ttt85 -62.8 -35.6 80.39 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 -179.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.82 -39.59 89.54 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.64 -38.62 91.62 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.201 178.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.78 -38.32 87.61 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.591 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -60.37 -40.06 89.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.68 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -61.78 -45.34 94.31 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.42 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 11.1 tp -75.52 -31.17 23.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-O 120.792 0.329 . . . . 0.0 111.499 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.5 -20.63 77.21 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 121.161 -0.543 . . . . 0.0 113.035 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -83.75 74.89 10.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.976 0.417 . . . . 0.0 110.789 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -127.61 127.27 43.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.445 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -116.29 126.16 53.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.338 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 102' ' ' ASP . . . . . 0.446 ' OD2' ' HB3' ' B' ' 104' ' ' ASP . 35.8 t70 -63.93 -40.69 97.03 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.167 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 30.9 t0 57.76 52.17 8.43 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.926 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 104' ' ' ASP . . . . . 0.446 ' HB3' ' OD2' ' B' ' 102' ' ' ASP . 42.0 p-10 -92.48 7.98 40.76 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.466 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -90.28 103.1 15.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.802 0.334 . . . . 0.0 110.645 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 64.8 tttm . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.497 179.899 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.926 0.393 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . -122.48 31.02 4.98 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.491 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 615' ' ' ARG . . . . . 0.452 ' O ' HG12 ' A' ' 657' ' ' ILE . 36.9 mtp-105 -94.96 127.95 41.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.112 0.482 . . . . 0.0 112.01 -179.223 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.544 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 88.8 mt -127.85 130.91 70.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.437 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 617' ' ' VAL . . . . . 0.615 HG23 ' HB3' ' A' ' 656' ' ' PRO . 94.8 t -108.22 125.54 64.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-O 121.327 0.584 . . . . 0.0 110.429 179.118 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.626 HD21 ' HA ' ' A' ' 626' ' ' SER . 63.8 tp -106.21 122.9 47.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.273 -179.643 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 56.4 t -114.68 106.89 21.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.952 0.406 . . . . 0.0 110.058 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 42.4 t -157.75 139.87 14.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.712 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -82.97 -13.23 56.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.746 178.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -86.0 108.57 18.29 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.42 -40.63 97.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.902 -178.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -62.15 -45.69 92.31 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -178.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 86.1 m -67.71 -43.34 80.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.968 0.413 . . . . 0.0 110.847 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 626' ' ' SER . . . . . 0.626 ' HA ' HD21 ' A' ' 618' ' ' LEU . 66.3 m -62.86 -41.67 99.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.073 -179.051 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 91.0 m -62.63 -44.45 96.25 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.973 0.415 . . . . 0.0 110.722 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.05 -47.55 82.49 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.334 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 629' ' ' ILE . . . . . 0.407 HD12 ' CZ ' ' A' ' 713' ' ' PHE . 40.3 mm -63.64 -45.0 98.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.154 -179.176 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 95.3 m -62.53 -41.58 98.96 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.296 -178.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 631' ' ' SER . . . . . 0.425 ' HA ' ' OG1' ' B' ' 7' ' ' THR . 55.2 m -63.42 -43.84 96.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.051 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 632' ' ' ILE . . . . . 0.528 HD13 ' HA ' ' A' ' 710' ' ' PRO . 95.8 mt -62.88 -48.97 85.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.236 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 633' ' ' LEU . . . . . 0.525 ' HB2' HG21 ' A' ' 640' ' ' VAL . 90.2 mt -71.16 -39.57 71.84 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -179.301 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 634' ' ' THR . . . . . 0.616 ' O ' ' HA2' ' B' ' 38' ' ' GLY . 90.7 m -65.13 -43.8 90.72 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -178.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 635' ' ' THR . . . . . . . . . . . . . 13.9 t -65.99 -15.29 62.88 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.742 0.306 . . . . 0.0 111.593 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -86.56 0.66 53.92 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.457 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 96.71 7.31 57.84 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.953 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 638' ' ' TYR . . . . . 0.506 ' O ' ' HA ' ' A' ' 634' ' ' THR . 82.8 m-85 -99.5 154.02 18.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.861 0.362 . . . . 0.0 110.719 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 18.4 tm0? -105.56 115.04 29.57 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 640' ' ' VAL . . . . . 0.544 ' HA ' ' O ' ' A' ' 616' ' ' ILE . 57.6 t -111.04 131.66 61.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -178.367 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 641' ' ' ILE . . . . . 0.608 HG21 HD13 ' A' ' 654' ' ' LEU . 85.9 mt -112.92 123.1 68.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.678 177.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 642' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -95.62 115.89 28.07 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.425 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.31 149.05 45.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.571 -178.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 17.2 m -74.73 150.15 7.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-O 120.941 0.401 . . . . 0.0 110.21 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 645' ' ' ASP . . . . . 0.438 ' OD1' HD11 ' A' ' 673' ' ' LEU . 20.0 t0 -74.3 158.93 33.16 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 113.399 0.888 . . . . 0.0 113.399 -177.48 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 103.09 -16.74 53.56 Favored Glycine 0 C--N 1.337 0.636 0 CA-C-N 115.303 -0.862 . . . . 0.0 114.802 178.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 647' ' ' GLU . . . . . 0.449 ' O ' ' HG ' ' A' ' 651' ' ' LEU . 78.2 mm-40 -115.5 91.33 3.57 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 118.152 0.976 . . . . 0.0 113.326 -178.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 76.2 t -71.32 -41.34 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.556 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 649' ' ' GLU . . . . . 0.464 ' HA ' HD12 ' A' ' 652' ' ' LEU . 49.9 mp0 -59.67 -39.33 84.11 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.811 0.338 . . . . 0.0 110.309 179.404 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 68.3 mtt-85 -66.94 -36.4 82.14 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 178.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 647' ' ' GLU . 88.8 mt -65.01 -37.12 86.6 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.111 177.608 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 649' ' ' GLU . 93.3 mt -61.02 -37.94 84.31 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.76 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -59.07 -38.52 79.65 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.664 0.745 . . . . 0.0 110.083 178.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 654' ' ' LEU . . . . . 0.72 HD21 ' HB3' ' B' ' 25' ' ' LEU . 87.8 mt -108.51 30.39 6.51 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.221 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 655' ' ' THR . . . . . . . . . . . . . 8.6 t -49.03 115.62 4.77 Favored Pre-proline 0 N--CA 1.467 0.417 0 CA-C-O 121.869 0.842 . . . . 0.0 112.256 -178.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 656' ' ' PRO . . . . . 0.615 ' HB3' HG23 ' A' ' 617' ' ' VAL . 25.6 Cg_endo -88.92 -172.98 0.75 Allowed 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 124.067 3.178 . . . . 0.0 113.183 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.452 HG12 ' O ' ' A' ' 615' ' ' ARG . 48.0 pt -87.22 -20.36 7.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 177.112 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -152.72 145.97 24.73 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.628 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.699 HG23 HD11 ' A' ' 686' ' ' LEU . 68.0 t -115.98 128.25 73.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.362 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.818 HD23 ' HB2' ' A' ' 689' ' ' PHE . 82.9 mt -106.91 122.9 47.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.731 0.3 . . . . 0.0 111.383 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 86.9 mt -118.59 133.32 55.95 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -109.45 135.35 50.62 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -90.66 154.88 46.03 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.472 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 664' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -82.43 163.86 74.3 Favored 'Cis proline' 0 C--N 1.351 0.686 0 C-N-CA 124.288 -1.13 . . . . 0.0 112.784 -0.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 665' ' ' PHE . . . . . 0.553 ' HB3' HG13 ' A' ' 670' ' ' VAL . 18.0 p90 -90.79 79.74 5.95 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.307 0.575 . . . . 0.0 111.123 179.535 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 71.2 m -63.73 -40.53 96.98 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.659 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -126.51 117.51 23.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.871 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 668' ' ' GLY . . . . . 0.464 ' O ' ' HB2' ' A' ' 665' ' ' PHE . . . 93.94 147.51 22.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.337 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -96.52 115.51 27.55 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.758 -0.26 . . . . 0.0 110.755 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 670' ' ' VAL . . . . . 0.553 HG13 ' HB3' ' A' ' 665' ' ' PHE . 35.0 m -63.79 -32.69 57.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 C-N-CA 121.196 -0.202 . . . . 0.0 111.305 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -64.34 -39.35 93.71 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.158 0.504 . . . . 0.0 109.819 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 672' ' ' GLU . . . . . 0.43 ' HG3' ' OE1' ' A' ' 676' ' ' GLN . 53.5 tp10 -63.91 -42.26 97.46 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.383 178.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 673' ' ' LEU . . . . . 0.438 HD11 ' OD1' ' A' ' 645' ' ' ASP . 84.1 mt -62.64 -42.11 99.41 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.463 179.257 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 674' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 670' ' ' VAL . 53.9 t -61.59 -45.95 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.202 179.081 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -60.61 -44.46 96.28 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.16 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 676' ' ' GLN . . . . . 0.43 ' OE1' ' HG3' ' A' ' 672' ' ' GLU . 1.5 mp0 -65.07 -46.39 81.37 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.615 179.319 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 89.3 mt -61.92 -40.63 96.14 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -179.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -65.83 -35.93 82.06 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.747 0.308 . . . . 0.0 111.801 179.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.59 -26.7 55.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.711 0.291 . . . . 0.0 111.437 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.04 -43.9 10.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.669 -179.641 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 76.7 m -123.32 144.65 49.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.634 0.254 . . . . 0.0 110.489 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 682' ' ' THR . . . . . 0.405 ' OG1' ' HB2' ' A' ' 685' ' ' GLN . 67.2 p -71.85 152.96 93.19 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.421 -179.674 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -57.42 -37.99 95.69 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 123.157 2.571 . . . . 0.0 113.524 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 24.8 pm0 -74.11 -17.86 60.88 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 685' ' ' GLN . . . . . 0.405 ' HB2' ' OG1' ' A' ' 682' ' ' THR . 3.2 mp0 -96.76 -35.07 11.1 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 686' ' ' LEU . . . . . 0.699 HD11 HG23 ' A' ' 659' ' ' VAL . 69.2 tp -129.8 128.73 42.95 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.857 0.361 . . . . 0.0 111.001 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -103.62 147.17 27.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.638 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 688' ' ' ILE . . . . . 0.415 HG21 HG22 ' A' ' 674' ' ' VAL . 78.3 mt -119.5 126.25 75.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.21 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 689' ' ' PHE . . . . . 0.818 ' HB2' HD23 ' A' ' 660' ' ' LEU . 98.2 m-85 -119.39 141.19 49.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.824 0.345 . . . . 0.0 110.48 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 51.1 mm -116.18 124.97 73.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 691' ' ' LEU . . . . . 0.674 HD11 ' HE1' ' A' ' 713' ' ' PHE . 4.0 mp -100.88 128.59 46.85 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.111 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 692' ' ' GLY . . . . . 0.688 ' O ' ' HA ' ' A' ' 705' ' ' PRO . . . 129.8 -122.75 3.84 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.066 -1.064 . . . . 0.0 112.58 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 87.5 p -73.75 164.18 26.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.601 0.238 . . . . 0.0 110.756 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -62.13 -39.9 94.11 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.047 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . 79.27 -55.18 4.34 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.278 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 55.9 t30 60.24 42.47 15.12 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.401 0.62 . . . . 0.0 110.922 -179.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -118.31 147.48 43.43 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.349 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -83.44 158.19 22.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.691 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 104.31 -2.53 43.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.601 -0.809 . . . . 0.0 113.006 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 27.3 m -118.75 145.65 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 110.737 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -72.72 -44.21 62.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.489 . . . . 0.0 112.295 -179.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -164.19 156.92 17.39 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.949 -178.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -118.95 148.52 42.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.35 . . . . 0.0 110.415 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 704' ' ' ILE . . . . . 0.404 HG22 ' CG2' ' A' ' 708' ' ' ILE . 4.8 mp -119.53 98.47 50.06 Favored Pre-proline 0 CA--C 1.535 0.38 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.218 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 705' ' ' PRO . . . . . 0.688 ' HA ' ' O ' ' A' ' 692' ' ' GLY . 32.5 Cg_exo -61.35 143.31 97.82 Favored 'Trans proline' 0 N--CA 1.479 0.649 0 C-N-CA 123.42 2.747 . . . . 0.0 113.946 -179.628 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 706' ' ' LEU . . . . . 0.907 HD23 HG23 ' A' ' 708' ' ' ILE . 81.8 mt -97.15 151.57 37.78 Favored Pre-proline 0 N--CA 1.466 0.357 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.45 178.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 707' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -73.26 152.31 98.11 Favored 'Cis proline' 0 C--N 1.353 0.773 0 C-N-CA 123.873 -1.303 . . . . 0.0 112.469 -0.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 708' ' ' ILE . . . . . 0.907 HG23 HD23 ' A' ' 706' ' ' LEU . 43.4 pt -108.03 154.2 9.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.275 0.56 . . . . 0.0 111.882 -179.534 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -112.12 148.94 40.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 178.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 710' ' ' PRO . . . . . 0.528 ' HA ' HD13 ' A' ' 632' ' ' ILE . 82.6 Cg_exo -51.97 -50.88 12.53 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.378 2.052 . . . . 0.0 113.489 -178.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -67.91 -39.94 83.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.416 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 70.0 m -63.41 -47.45 81.9 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.579 -179.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 713' ' ' PHE . . . . . 0.674 ' HE1' HD11 ' A' ' 691' ' ' LEU . 83.3 t80 -60.13 -49.41 77.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.168 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 62.5 tp -61.1 -44.93 96.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.155 -178.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -64.79 -41.71 95.61 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -65.5 -42.87 91.63 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.762 0.315 . . . . 0.0 110.901 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 717' ' ' VAL . . . . . 0.401 ' O ' ' HG ' ' A' ' 721' ' ' LEU . 60.3 t -65.31 -43.17 95.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.618 179.026 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 718' ' ' THR . . . . . 0.447 ' O ' HG23 ' A' ' 722' ' ' THR . 92.3 m -60.12 -44.2 95.07 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 60.8 ttm -59.76 -45.69 91.45 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.228 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -63.2 -40.13 98.73 Favored Glycine 0 CA--C 1.522 0.491 0 C-N-CA 120.462 -0.875 . . . . 0.0 111.885 177.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 721' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 717' ' ' VAL . 92.0 mt -64.78 -38.32 90.59 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 722' ' ' THR . . . . . 0.539 ' HA ' ' O ' ' A' ' 725' ' ' ALA . 72.6 p -62.82 -26.11 68.58 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -179.07 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 73.8 m -65.51 -41.32 93.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.12 0.486 . . . . 0.0 109.821 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 724' ' ' LEU . . . . . . . . . . . . . 3.3 tt -70.14 -46.48 64.64 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.431 179.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 725' ' ' ALA . . . . . 0.539 ' O ' ' HA ' ' A' ' 722' ' ' THR . . . -166.25 -178.94 4.8 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.363 -179.258 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 63.3 p -64.13 -31.81 73.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.799 -0.182 . . . . 0.0 111.379 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 50.0 m 55.49 37.65 29.17 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.952 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -149.64 153.45 37.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.616 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 13.4 mp0 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.303 -0.856 . . . . 0.0 111.354 179.923 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 78.6 mtm . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.606 0.241 . . . . 0.0 110.693 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ALA . . . . . 0.402 ' N ' ' HD3' ' B' ' 3' ' ' PRO . . . 51.08 61.83 12.45 Favored Pre-proline 0 N--CA 1.471 0.577 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.463 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' B' ' 2' ' ' ALA . 48.0 Cg_exo -59.13 -29.0 89.35 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.141 2.561 . . . . 0.0 113.357 -179.628 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 mp -83.59 15.36 3.18 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 55.5 mmm-85 -120.49 18.36 12.09 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.757 0.313 . . . . 0.0 111.28 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.24 68.7 5.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.851 0.358 . . . . 0.0 111.783 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.566 HG21 ' HB ' ' A' ' 634' ' ' THR . 71.4 p -130.93 158.16 40.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.457 179.295 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -108.29 145.52 34.25 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 58.2 t -108.5 113.8 44.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.251 0.548 . . . . 0.0 111.277 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 68.7 tp -105.08 120.08 40.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.653 178.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.45 ' HG3' ' HB3' ' B' ' 66' ' ' ALA . 10.3 ptpt -105.75 150.82 25.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.956 0.408 . . . . 0.0 110.661 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.604 HD22 HD22 ' B' ' 28' ' ' LEU . 0.2 OUTLIER -138.12 133.56 33.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.768 -178.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 13' ' ' TYR . . . . . 0.449 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 93.0 m-85 -102.4 121.4 42.24 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 178.306 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.793 HG12 ' HB3' ' B' ' 63' ' ' PRO . 28.0 m -136.19 168.88 21.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.258 0.551 . . . . 0.0 112.325 -177.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.2 100.42 7.04 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.33 -0.85 . . . . 0.0 108.924 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.5 112.42 3.45 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.456 -0.878 . . . . 0.0 113.12 -178.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -162.5 -70.49 0.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.663 0.268 . . . . 0.0 110.684 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 65.7 p -77.8 152.35 80.16 Favored Pre-proline 0 N--CA 1.455 -0.194 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.378 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -55.26 -39.14 92.59 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.741 2.294 . . . . 0.0 113.277 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -62.75 -42.42 99.67 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.862 0.363 . . . . 0.0 110.882 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 69.5 m -70.03 -40.14 75.36 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.482 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 62.2 t -67.15 -42.4 88.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.993 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 -64.24 -23.62 67.37 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.186 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.652 ' HB1' HD23 ' B' ' 80' ' ' LEU . . . -58.31 -39.91 80.62 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 111.432 0.16 . . . . 0.0 111.432 -179.075 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.72 ' HB3' HD21 ' A' ' 654' ' ' LEU . 77.7 mt -63.81 -40.26 96.2 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.977 0.418 . . . . 0.0 110.8 178.489 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -63.06 -40.96 99.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.574 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 87.7 m -68.53 -43.0 77.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.8 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.643 HD13 HD11 ' B' ' 80' ' ' LEU . 56.7 tp -61.29 -46.42 90.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.586 -179.503 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.73 -40.48 92.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.603 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -62.01 -42.26 98.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.68 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.73 -44.49 89.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.893 -178.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.403 HD22 ' HG ' ' B' ' 42' ' ' LEU . 1.3 mp -72.36 -34.55 68.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.565 -178.608 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.586 ' O ' ' HB3' ' B' ' 37' ' ' LYS . 85.4 tt0 -63.86 -40.91 97.66 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -97.4 -55.13 2.93 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -177.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 54.8 tp10 -63.23 -47.08 83.97 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -176.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -131.38 61.9 1.63 Allowed 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -178.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.586 ' HB3' ' O ' ' B' ' 33' ' ' GLU . 5.1 ptmm? -76.61 136.22 39.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.0 0.429 . . . . 0.0 111.373 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.616 ' HA2' ' O ' ' A' ' 634' ' ' THR . . . 82.73 2.46 90.64 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.95 -0.643 . . . . 0.0 113.497 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 17.9 t -107.16 -45.49 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -126.24 140.86 52.2 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -178.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.07 145.45 34.01 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 176.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.403 ' HG ' HD22 ' B' ' 32' ' ' LEU . 92.9 mt -103.95 143.9 32.24 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -177.481 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -126.7 127.7 45.55 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 177.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 65.7 t -116.45 121.81 68.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -177.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 83.6 mt -118.64 126.79 75.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.688 178.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -92.45 111.13 22.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.464 -179.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.618 HG21 HG21 ' B' ' 62' ' ' THR . 35.9 m -84.73 -11.31 11.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.834 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.55 -46.58 69.11 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.795 0.331 . . . . 0.0 110.962 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 60.4 tptt -70.41 -39.48 74.45 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.952 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -125.26 84.5 59.56 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.825 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -57.55 -28.87 82.89 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 123.464 2.776 . . . . 0.0 113.476 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.501 ' O ' ' HG2' ' B' ' 56' ' ' GLU . 18.3 pm0 -62.85 -26.13 68.62 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.351 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.59 -40.5 95.63 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.777 0.322 . . . . 0.0 110.793 179.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ALA . . . . . 0.794 ' HA ' HD12 ' B' ' 59' ' ' ILE . . . -64.19 -40.23 95.66 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.967 179.312 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -65.37 -36.08 82.91 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.252 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' B' ' 52' ' ' GLN . 78.8 mm-40 -63.36 -38.44 91.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.515 -178.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -102.01 12.66 36.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.611 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 22.1 mttt 50.82 54.11 11.8 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.372 0.42 . . . . 0.0 112.064 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.794 HD12 ' HA ' ' B' ' 54' ' ' ALA . 82.0 mt -84.25 112.36 21.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.887 0.375 . . . . 0.0 110.301 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 40.0 tp -69.86 -42.11 73.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.929 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -154.12 158.02 39.8 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.834 0.349 . . . . 0.0 111.909 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' THR . . . . . 0.618 HG21 HG21 ' B' ' 47' ' ' VAL . 76.2 p -128.37 154.46 79.15 Favored Pre-proline 0 N--CA 1.463 0.205 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.101 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 63' ' ' PRO . . . . . 0.793 ' HB3' HG12 ' B' ' 14' ' ' VAL . 55.4 Cg_endo -68.66 150.55 87.33 Favored 'Cis proline' 0 C--N 1.352 0.713 0 C-N-CA 124.001 -1.25 . . . . 0.0 113.683 0.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.95 132.48 45.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.567 HD23 HD11 ' B' ' 12' ' ' LEU . 2.3 mp -99.31 128.12 45.4 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.106 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' ALA . . . . . 0.45 ' HB3' ' HG3' ' B' ' 11' ' ' LYS . . . -125.13 144.31 50.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.477 0.656 . . . . 0.0 112.438 -178.495 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.425 ' HE2' ' O ' ' B' ' 70' ' ' PRO . 86.8 tttt -111.3 121.05 44.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.052 -0.977 . . . . 0.0 109.259 178.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 6.2 m -121.58 -24.93 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.738 HD12 ' HA ' ' B' ' 70' ' ' PRO . 26.5 tp -155.54 129.73 4.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.014 -179.37 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' PRO . . . . . 0.738 ' HA ' HD12 ' B' ' 69' ' ' LEU . 91.3 Cg_endo -80.73 158.22 85.1 Favored 'Cis proline' 0 C--N 1.348 0.538 0 C-N-CA 123.767 -1.347 . . . . 0.0 112.374 -1.458 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' PRO . . . . . 0.542 ' HD3' HD12 ' B' ' 69' ' ' LEU . 22.6 Cg_exo -66.28 165.2 25.33 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.966 2.444 . . . . 0.0 112.115 178.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.14 160.24 96.46 Favored 'Cis proline' 0 C--N 1.354 0.845 0 C-N-CA 124.363 -1.099 . . . . 0.0 114.205 1.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 20.8 m -75.75 151.79 6.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.942 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.17 148.61 25.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.372 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -129.14 131.02 47.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.755 0.312 . . . . 0.0 110.563 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 80.8 mt -115.62 126.31 73.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.603 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 79.7 mt -111.46 123.66 67.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.023 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -176.02 -177.71 45.25 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.264 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -90.09 103.95 16.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.831 0.348 . . . . 0.0 110.831 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.652 HD23 ' HB1' ' B' ' 24' ' ' ALA . 26.1 tp -65.42 -29.41 70.1 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.619 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 68.0 m -61.9 -31.82 72.15 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.61 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -81.91 112.49 19.07 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' ARG . . . . . 0.571 ' HA ' HG12 ' B' ' 86' ' ' VAL . 72.4 ttp85 -59.96 -34.45 73.28 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.611 -178.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -59.78 -48.07 83.15 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.546 0.212 . . . . 0.0 111.198 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' LYS . . . . . 0.492 ' HA ' HD12 ' B' ' 88' ' ' ILE . 30.1 mtpp -72.2 -39.62 68.45 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.571 HG12 ' HA ' ' B' ' 83' ' ' ARG . 7.4 p -60.97 -36.22 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.203 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 59.8 tp -65.01 -40.67 95.25 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 177.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' ILE . . . . . 0.492 HD12 ' HA ' ' B' ' 85' ' ' LYS . 90.4 mt -60.28 -45.84 95.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.914 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.46 -41.8 97.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.769 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 4.8 mp -69.57 -38.99 77.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.683 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 26.3 mmt85 -62.59 -39.25 93.13 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.593 0.235 . . . . 0.0 110.666 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 88.4 mt -63.28 -40.46 97.44 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.274 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.89 -39.85 95.13 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.631 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.24 -41.92 98.86 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.473 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.82 -42.97 97.54 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.746 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.76 -41.44 71.74 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.822 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 7.7 tp -68.36 -28.1 39.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-O 120.836 0.351 . . . . 0.0 111.286 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -88.7 -0.11 82.05 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.399 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 30.5 t0 56.83 47.69 17.48 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 122.906 0.482 . . . . 0.0 111.32 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -106.9 125.52 51.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.377 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -124.24 -163.9 1.2 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.134 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 30.8 t0 58.29 49.77 10.6 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.068 0.461 . . . . 0.0 111.105 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -152.67 158.82 42.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.169 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -157.1 158.61 36.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.289 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -63.2 -42.45 99.32 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.195 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 62.6 pttt . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.783 179.867 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.963 0.411 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . -169.13 165.93 39.3 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.296 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 615' ' ' ARG . . . . . 0.435 ' HG2' ' OE2' ' B' ' 33' ' ' GLU . 0.0 OUTLIER -91.79 139.16 30.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.907 179.845 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.542 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 88.2 mt -126.79 129.73 71.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.027 179.261 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 617' ' ' VAL . . . . . 0.473 HG23 ' HB3' ' A' ' 656' ' ' PRO . 86.1 t -114.69 127.83 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.166 0.508 . . . . 0.0 111.184 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.446 ' CD2' ' HA ' ' A' ' 626' ' ' SER . 67.4 tp -104.12 123.56 47.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.143 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 75.6 t -101.76 98.41 6.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.045 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 56.4 m -154.2 150.86 28.53 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.346 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -94.86 -16.61 22.76 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.999 0.428 . . . . 0.0 110.131 178.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -80.91 111.82 17.73 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.523 -178.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 623' ' ' GLU . . . . . 0.471 ' HA ' ' CH2' ' A' ' 642' ' ' TRP . 97.5 mt-10 -63.24 -40.91 98.79 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.468 -0.787 . . . . 0.0 113.075 -178.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.52 92.6 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -178.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 86.2 m -66.86 -43.59 83.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.922 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 626' ' ' SER . . . . . 0.446 ' HA ' ' CD2' ' A' ' 618' ' ' LEU . 69.4 m -63.06 -42.45 99.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.074 -178.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 87.4 m -65.27 -42.01 93.65 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.923 0.392 . . . . 0.0 110.402 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 1.8 tt -62.71 -46.0 90.15 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.894 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 629' ' ' ILE . . . . . . . . . . . . . 34.6 mm -63.08 -42.15 95.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.498 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 95.0 m -60.92 -42.82 98.85 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.757 -178.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 95.2 p -64.91 -37.35 87.33 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.769 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.37 -47.26 90.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-O 120.924 0.393 . . . . 0.0 112.053 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 633' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 633' ' ' LEU . 0.6 OUTLIER -83.77 -37.85 22.08 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -177.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 634' ' ' THR . . . . . 0.737 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 93.4 m -63.22 -44.41 95.39 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -178.545 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 635' ' ' THR . . . . . 0.758 ' HB ' HD23 ' B' ' 4' ' ' LEU . 1.2 m -72.15 -14.15 61.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.893 0.378 . . . . 0.0 111.314 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -83.16 3.3 31.46 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.832 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 102.83 -7.37 52.98 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.901 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 638' ' ' TYR . . . . . 0.737 ' O ' ' HA ' ' A' ' 634' ' ' THR . 95.2 m-85 -99.54 159.87 14.71 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -116.57 123.63 47.85 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.18 -0.608 . . . . 0.0 109.951 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 640' ' ' VAL . . . . . 0.542 ' HA ' ' O ' ' A' ' 616' ' ' ILE . 59.4 t -105.04 129.09 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.077 -178.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 641' ' ' ILE . . . . . 0.848 HG21 HD13 ' A' ' 654' ' ' LEU . 81.4 mt -108.45 124.21 64.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 177.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 642' ' ' TRP . . . . . 0.471 ' CH2' ' HA ' ' A' ' 623' ' ' GLU . 7.6 t90 -97.92 113.49 25.34 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.194 -179.116 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 82.0 mt -113.98 144.28 43.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.017 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 644' ' ' VAL . . . . . 0.414 HG12 ' H ' ' A' ' 644' ' ' VAL . 0.9 OUTLIER -75.19 142.43 14.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.855 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -63.68 152.65 38.47 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -175.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 103.32 -9.5 53.73 Favored Glycine 0 C--N 1.339 0.718 0 CA-C-N 115.079 -0.964 . . . . 0.0 115.196 178.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -114.98 102.28 9.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 118.533 1.167 . . . . 0.0 113.205 -179.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 75.0 t -71.14 -40.88 75.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.006 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 48.6 mp0 -60.03 -38.11 81.77 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.811 0.339 . . . . 0.0 110.229 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 650' ' ' ARG . . . . . 0.429 ' HD2' HG11 ' B' ' 44' ' ' VAL . 18.4 tpp180 -63.2 -38.44 91.16 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.433 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -67.1 -42.25 84.89 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.067 178.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.607 HD21 ' HG3' ' A' ' 680' ' ' ARG . 88.0 mt -64.81 -39.22 93.22 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.205 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 653' ' ' ALA . . . . . 0.522 ' HB2' HG13 ' B' ' 22' ' ' VAL . . . -58.97 -39.74 82.65 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.385 0.612 . . . . 0.0 110.943 179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 654' ' ' LEU . . . . . 0.848 HD13 HG21 ' A' ' 641' ' ' ILE . 91.2 mt -109.84 30.66 6.49 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.712 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 655' ' ' THR . . . . . . . . . . . . . 5.1 t -41.97 109.57 0.71 Allowed Pre-proline 0 N--CA 1.469 0.488 0 CA-C-O 121.95 0.881 . . . . 0.0 112.16 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 656' ' ' PRO . . . . . 0.473 ' HB3' HG23 ' A' ' 617' ' ' VAL . 42.2 Cg_endo -87.01 -177.89 2.36 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 123.774 2.983 . . . . 0.0 113.283 -178.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 47.3 pt -83.83 -19.29 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.643 177.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -152.63 144.95 23.98 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.576 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.707 HG23 HD11 ' A' ' 686' ' ' LEU . 70.5 t -115.28 126.17 72.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.017 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.651 HD23 ' HB2' ' A' ' 689' ' ' PHE . 76.7 mt -108.7 121.57 45.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.541 -179.134 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.64 124.14 50.67 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 177.44 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -126.27 147.28 49.73 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -177.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 663' ' ' GLU . . . . . 0.488 ' OE1' ' HA ' ' A' ' 664' ' ' PRO . 12.1 mm-40 -78.04 153.78 80.07 Favored Pre-proline 0 CA--C 1.53 0.187 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.796 178.508 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 664' ' ' PRO . . . . . 0.488 ' HA ' ' OE1' ' A' ' 663' ' ' GLU . 67.0 Cg_endo -90.07 140.37 13.68 Favored 'Cis proline' 0 C--N 1.346 0.447 0 C-N-CA 123.769 -1.346 . . . . 0.0 112.732 -1.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -115.11 85.63 2.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.207 0.527 . . . . 0.0 110.624 178.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 95.1 p -83.79 -12.18 56.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.014 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -119.45 115.99 25.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.024 0.44 . . . . 0.0 110.788 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 92.3 148.26 22.38 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.523 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -96.26 115.25 27.14 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 670' ' ' VAL . . . . . 0.419 ' O ' HG23 ' A' ' 674' ' ' VAL . 31.5 m -62.31 -33.88 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.089 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.85 -40.48 96.68 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 55.1 tp10 -64.18 -43.32 95.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.679 178.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 57.3 tp -62.36 -45.61 92.42 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.231 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 674' ' ' VAL . . . . . 0.754 HG13 HD13 ' A' ' 688' ' ' ILE . 56.1 t -61.39 -45.5 98.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.767 179.006 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 675' ' ' ASP . . . . . 0.469 ' O ' ' HG3' ' A' ' 679' ' ' GLN . 34.3 t70 -61.02 -42.88 99.31 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.987 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -64.64 -40.67 95.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.265 179.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.89 -40.94 95.89 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 678' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 675' ' ' ASP . 16.4 ptm180 -68.51 -24.56 64.67 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.655 0.264 . . . . 0.0 111.518 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 679' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' ' 675' ' ' ASP . 77.5 mt-30 -66.17 -38.27 87.66 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.932 0.396 . . . . 0.0 110.837 178.586 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 680' ' ' ARG . . . . . 0.607 ' HG3' HD21 ' A' ' 652' ' ' LEU . 0.1 OUTLIER -88.97 -45.86 9.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.282 -178.809 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 681' ' ' CYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 678' ' ' ARG . 77.9 m -120.67 131.68 54.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.87 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 65.8 p -73.77 157.91 86.77 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.102 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -55.64 -35.04 92.19 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 122.992 2.462 . . . . 0.0 113.352 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 684' ' ' GLU . . . . . 0.532 ' HB2' HD21 ' A' ' 724' ' ' LEU . 23.6 pt-20 -69.88 -21.07 63.36 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 120.752 0.311 . . . . 0.0 110.936 179.67 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -98.26 -36.3 10.07 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.44 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 686' ' ' LEU . . . . . 0.707 HD11 HG23 ' A' ' 659' ' ' VAL . 64.4 tp -128.79 130.25 46.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.61 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -99.6 142.98 30.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 110.731 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 688' ' ' ILE . . . . . 0.754 HD13 HG13 ' A' ' 674' ' ' VAL . 81.2 mt -118.93 126.44 75.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.275 -179.305 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 689' ' ' PHE . . . . . 0.651 ' HB2' HD23 ' A' ' 660' ' ' LEU . 90.0 m-85 -127.61 143.33 51.18 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 86.8 mt -121.29 129.14 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.011 0.434 . . . . 0.0 110.864 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 691' ' ' LEU . . . . . 0.531 HD11 ' HE1' ' A' ' 713' ' ' PHE . 4.1 mp -94.09 128.09 40.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.411 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 78.78 20.25 71.34 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.919 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 47.2 t -66.74 140.63 57.88 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.824 0.345 . . . . 0.0 111.064 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -63.36 -39.34 94.25 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.226 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . -157.08 -166.73 17.11 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.63 -179.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -87.24 112.35 21.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.699 0.285 . . . . 0.0 110.562 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -108.13 151.28 26.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.977 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -67.48 143.98 55.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.759 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 91.37 -6.53 80.78 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.027 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 57.6 t -112.65 122.69 67.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -66.49 -43.52 85.16 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.876 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 702' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 702' ' ' ARG . 0.0 OUTLIER -159.03 150.81 20.74 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.199 -179.334 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -114.35 148.94 36.84 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 178.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 704' ' ' ILE . . . . . 0.441 ' HB ' ' HG ' ' A' ' 691' ' ' LEU . 16.0 mm -102.17 116.25 63.39 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -179.284 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.11 158.7 48.88 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.821 2.347 . . . . 0.0 113.082 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 706' ' ' LEU . . . . . 0.525 ' HA ' ' C ' ' A' ' 707' ' ' PRO . 96.5 mt -117.53 152.93 50.18 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.329 179.67 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 707' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 706' ' ' LEU . 36.9 Cg_endo -64.5 149.68 72.18 Favored 'Cis proline' 0 C--N 1.353 0.78 0 C-N-CA 123.747 -1.355 . . . . 0.0 113.047 0.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 708' ' ' ILE . . . . . . . . . . . . . 13.3 tt -76.75 130.63 36.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.383 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -117.34 132.65 23.43 Favored Pre-proline 0 C--N 1.328 -0.351 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 178.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -52.17 -50.11 15.11 Favored 'Trans proline' 0 N--CA 1.476 0.493 0 C-N-CA 122.82 2.346 . . . . 0.0 113.865 -178.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.59 -43.39 97.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.158 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 69.0 m -63.97 -45.58 88.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.903 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 713' ' ' PHE . . . . . 0.531 ' HE1' HD11 ' A' ' 691' ' ' LEU . 83.1 t80 -60.18 -49.17 78.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.09 179.136 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 2.1 tt -61.54 -43.74 98.31 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -63.82 -42.97 97.54 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -65.94 -41.07 91.76 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 121.136 -0.225 . . . . 0.0 111.277 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 717' ' ' VAL . . . . . 0.708 ' O ' ' HG ' ' A' ' 721' ' ' LEU . 57.9 t -65.02 -45.3 94.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.931 179.146 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 89.0 m -60.64 -46.42 90.38 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.611 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -63.77 -34.14 77.23 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.813 0.339 . . . . 0.0 110.987 179.288 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -74.56 -14.77 80.87 Favored Glycine 0 CA--C 1.524 0.656 0 C-N-CA 121.18 -0.533 . . . . 0.0 112.906 179.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 721' ' ' LEU . . . . . 0.708 ' HG ' ' O ' ' A' ' 717' ' ' VAL . 93.6 mt -86.88 0.44 54.96 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.357 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 39.1 p -64.3 -19.59 65.52 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 8.6 t 65.19 -145.14 0.23 Allowed 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.352 0.407 . . . . 0.0 111.393 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 724' ' ' LEU . . . . . 0.532 HD21 ' HB2' ' A' ' 684' ' ' GLU . 75.6 mt -62.89 -43.28 99.21 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -163.13 154.96 17.78 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.793 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 84.8 m -123.56 129.34 51.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.403 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 97.6 p -149.96 160.96 43.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.597 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -147.38 153.91 40.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.627 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.646 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.8 mmt . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 120.968 0.413 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.48 103.64 55.44 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.147 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -59.07 -36.65 95.9 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.169 2.58 . . . . 0.0 112.746 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.758 HD23 ' HB ' ' A' ' 635' ' ' THR . 0.9 OUTLIER -120.8 -159.76 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.72 154.93 37.59 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.86 110.12 13.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.074 0.464 . . . . 0.0 111.531 -178.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.434 HG21 ' HB ' ' A' ' 634' ' ' THR . 82.8 p -78.76 161.45 26.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.658 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.49 143.04 26.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.58 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 61.5 t -117.88 121.28 67.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.116 0.484 . . . . 0.0 111.576 -178.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 57.8 tp -103.99 126.57 51.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.645 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -103.06 141.39 35.9 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.299 0.571 . . . . 0.0 112.458 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.423 HD23 HD13 ' B' ' 25' ' ' LEU . 68.8 tp -128.15 119.98 26.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.328 178.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -101.06 126.17 47.72 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 178.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.472 HG12 ' HB3' ' B' ' 63' ' ' PRO . 31.2 m -135.63 170.18 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.333 -178.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.778 ' HB1' ' HB2' ' B' ' 48' ' ' LEU . . . -142.18 136.7 30.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.723 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.93 166.68 42.66 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.8 -0.715 . . . . 0.0 113.541 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -115.53 20.01 15.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.948 0.404 . . . . 0.0 110.344 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 58.1 p -70.52 156.4 91.98 Favored Pre-proline 0 C--O 1.233 0.236 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.421 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -54.58 -37.35 90.67 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 123.17 2.58 . . . . 0.0 113.679 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -61.55 -43.86 98.09 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.859 0.362 . . . . 0.0 110.814 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 66.4 m -67.17 -39.66 86.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.443 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.522 HG13 ' HB2' ' A' ' 653' ' ' ALA . 62.2 t -66.93 -45.01 88.29 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.966 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -63.16 -40.62 98.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.261 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.31 -40.72 91.55 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.93 0.395 . . . . 0.0 110.552 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.481 HD11 HD11 ' A' ' 654' ' ' LEU . 47.4 tp -61.49 -44.52 96.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.286 178.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -63.26 -39.34 94.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.836 178.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 93.0 m -63.22 -46.34 87.41 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.109 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 65.2 tp -63.27 -44.9 93.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.407 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.02 93.56 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.754 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -59.14 -44.17 92.06 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.808 0.337 . . . . 0.0 111.131 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.645 HD11 ' HG3' ' B' ' 83' ' ' ARG . 97.2 mt -67.56 -42.18 86.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.733 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.65 -39.1 91.05 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.301 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.435 ' OE2' ' HG2' ' A' ' 615' ' ' ARG . 97.2 mt-10 -63.87 -36.77 85.02 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -179.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.13 -58.77 2.42 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -177.463 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 52.0 mp0 -92.07 -9.43 42.72 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 -176.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.81 33.05 4.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 118.644 0.656 . . . . 0.0 112.417 -178.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -80.3 138.82 36.8 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -178.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' A' ' 634' ' ' THR . . . 82.87 -0.66 89.49 Favored Glycine 0 C--N 1.334 0.433 0 N-CA-C 114.979 0.752 . . . . 0.0 114.979 177.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.6 m -131.5 -25.25 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 118.088 0.944 . . . . 0.0 113.254 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -124.18 136.45 54.2 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -178.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.68 147.47 35.49 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 177.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 64.1 tp -109.81 136.75 48.62 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -177.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 642' ' ' TRP . 51.8 mtpt -119.96 133.89 55.41 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.534 177.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.429 HG11 ' HD2' ' A' ' 650' ' ' ARG . 57.8 t -126.45 128.67 71.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.907 0.384 . . . . 0.0 111.538 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 4.3 mp -125.55 134.74 65.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.371 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -92.79 106.0 18.04 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.416 ' HB ' ' HB2' ' B' ' 54' ' ' ALA . 29.6 m -84.11 -12.79 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.318 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.778 ' HB2' ' HB1' ' B' ' 15' ' ' ALA . 60.8 tp -63.96 -46.04 86.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.695 0.283 . . . . 0.0 111.326 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.98 -38.94 66.48 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.38 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.419 ' HB2' HD12 ' B' ' 53' ' ' LEU . 33.8 m120 -124.09 89.94 51.25 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.551 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -63.76 -22.91 69.47 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.783 2.322 . . . . 0.0 113.315 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.461 ' O ' ' HG2' ' B' ' 56' ' ' GLU . 18.5 pm0 -66.45 -27.88 68.16 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.775 -0.193 . . . . 0.0 111.242 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.419 HD12 ' HB2' ' B' ' 50' ' ' ASN . 93.8 mt -65.78 -41.24 92.26 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.95 0.405 . . . . 0.0 110.571 179.286 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ALA . . . . . 0.416 ' HB2' ' HB ' ' B' ' 47' ' ' VAL . . . -65.29 -39.4 92.5 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.645 178.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.29 -34.9 77.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.144 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' B' ' 52' ' ' GLN . 79.2 mm-40 -62.79 -38.4 90.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.408 -179.406 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -104.26 15.28 28.65 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 121.156 -0.218 . . . . 0.0 111.562 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 56.72 47.41 18.26 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 44.8 mm -103.91 117.23 49.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 90.2 mt -111.28 1.78 17.33 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -149.44 160.34 43.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.439 0.161 . . . . 0.0 111.2 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 44.3 p -142.88 149.4 49.51 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.159 179.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' PRO . . . . . 0.472 ' HB3' HG12 ' B' ' 14' ' ' VAL . 93.2 Cg_endo -77.92 147.1 82.83 Favored 'Cis proline' 0 C--N 1.349 0.585 0 C-N-CA 123.392 -1.503 . . . . 0.0 112.783 -1.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 77.9 m -128.61 132.83 48.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.858 0.361 . . . . 0.0 110.869 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 26.4 tp -99.25 123.23 43.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.698 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -114.11 134.61 54.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.313 0.577 . . . . 0.0 112.304 -178.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -102.0 119.98 39.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.886 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.644 ' HA ' HG12 ' B' ' 73' ' ' VAL . 58.6 t -114.9 -55.49 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.858 0.361 . . . . 0.0 110.991 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 84.5 mt -124.22 131.62 24.22 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.468 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -80.22 159.09 86.78 Favored 'Cis proline' 0 C--N 1.348 0.548 0 C-N-CA 123.704 -1.373 . . . . 0.0 112.287 -1.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -73.64 165.95 31.01 Favored 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 122.793 2.329 . . . . 0.0 112.182 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -72.5 159.02 96.97 Favored 'Cis proline' 0 C--N 1.353 0.792 0 C-N-CA 124.267 -1.139 . . . . 0.0 114.08 1.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.644 HG12 ' HA ' ' B' ' 68' ' ' VAL . 18.7 m -74.68 140.5 17.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.091 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -136.25 151.82 50.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.088 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -119.72 124.98 47.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.999 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 80.2 mt -115.7 118.68 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.89 0.376 . . . . 0.0 110.811 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 83.8 mt -120.28 125.7 74.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.004 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 169.73 -167.06 40.21 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.035 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -77.65 93.96 4.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.084 0.468 . . . . 0.0 110.597 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 96.2 mt -81.43 -6.65 59.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 89.2 p -73.53 -13.86 61.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.45 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -91.81 108.69 20.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.052 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' ARG . . . . . 0.645 ' HG3' HD11 ' B' ' 31' ' ' ILE . 45.0 ttm180 -60.36 -37.69 81.5 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.643 -179.399 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -58.34 -48.21 81.3 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -70.08 -41.88 73.51 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.01 -41.99 91.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.696 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 64.2 tp -59.93 -43.2 95.07 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 83.3 mt -61.18 -48.06 90.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.523 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.87 -45.16 93.87 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.492 HD23 HD12 ' B' ' 93' ' ' LEU . 80.1 mt -69.18 -37.75 78.31 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 47.0 tpt85 -61.17 -39.57 90.63 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.663 0.268 . . . . 0.0 110.568 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.55 -38.56 90.5 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.247 178.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.492 HD12 HD23 ' B' ' 90' ' ' LEU . 92.8 mt -62.93 -36.96 85.15 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.822 179.333 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.41 -40.53 91.3 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.254 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -63.88 -41.31 97.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.29 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -62.56 -45.25 93.79 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.525 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 20.8 tt -75.07 -32.89 27.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 120.986 -0.285 . . . . 0.0 111.338 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -63.58 -37.75 95.24 Favored Glycine 0 C--N 1.334 0.44 0 C-N-CA 121.375 -0.44 . . . . 0.0 113.023 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -83.68 74.93 10.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.971 0.415 . . . . 0.0 110.948 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -128.59 127.61 42.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.109 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 10.8 ptpp? -148.06 160.62 42.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.752 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -157.76 161.48 38.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.086 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -155.12 157.03 36.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.616 -0.266 . . . . 0.0 110.37 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -157.32 160.67 38.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.249 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -155.56 159.55 39.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.333 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 58.8 mtmt . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.865 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.916 0.388 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . 102.03 155.49 25.97 Favored Glycine 0 CA--C 1.518 0.237 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.952 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 76.4 mtt85 -85.56 146.57 26.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.051 0.453 . . . . 0.0 111.746 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.486 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 97.8 mt -122.75 127.57 74.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.17 177.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 617' ' ' VAL . . . . . 0.659 HG23 ' HB3' ' A' ' 656' ' ' PRO . 93.2 t -112.76 125.61 70.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.389 0.614 . . . . 0.0 111.893 -179.286 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.565 HD22 ' HB2' ' A' ' 660' ' ' LEU . 0.7 OUTLIER -100.14 115.8 30.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.65 178.834 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 619' ' ' VAL . . . . . 0.499 ' HB ' HD23 ' A' ' 661' ' ' LEU . 61.3 t -111.65 109.5 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.041 0.448 . . . . 0.0 110.406 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 87.2 p -164.63 165.7 20.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.301 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -96.76 -11.0 25.59 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.95 0.405 . . . . 0.0 110.036 178.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -93.43 108.07 19.81 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.977 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -63.7 -38.03 89.58 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.917 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -59.46 -45.5 91.45 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -177.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 95.2 m -63.62 -44.99 92.32 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.027 0.441 . . . . 0.0 110.442 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 48.4 t -63.39 -44.49 94.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.812 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 86.2 m -59.9 -46.69 88.54 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.778 0.323 . . . . 0.0 110.775 -178.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 63.6 tp -63.11 -45.09 93.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.494 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 629' ' ' ILE . . . . . 0.417 HD11 ' CD2' ' A' ' 713' ' ' PHE . 3.5 tp -70.19 -31.65 48.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -178.615 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 79.7 m -62.52 -44.2 96.94 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.994 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 88.9 p -65.69 -37.31 86.11 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.974 -0.291 . . . . 0.0 111.248 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.35 -46.95 91.63 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 633' ' ' LEU . . . . . 0.477 ' HB2' HG21 ' A' ' 640' ' ' VAL . 96.2 mt -84.06 -37.48 22.04 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -178.264 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 634' ' ' THR . . . . . 0.705 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 95.4 m -62.76 -46.01 90.01 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -177.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 635' ' ' THR . . . . . . . . . . . . . 1.1 m -71.73 -15.42 62.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.951 0.405 . . . . 0.0 111.45 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -81.07 0.56 35.45 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.606 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 105.76 -2.19 38.96 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.751 -0.737 . . . . 0.0 113.244 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 638' ' ' TYR . . . . . 0.705 ' O ' ' HA ' ' A' ' 634' ' ' THR . 80.6 m-85 -99.82 153.56 19.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.849 0.357 . . . . 0.0 110.724 179.635 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -106.78 112.55 25.57 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 640' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' A' ' 616' ' ' ILE . 61.4 t -102.41 129.63 53.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 112.675 0.621 . . . . 0.0 112.675 -178.225 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 641' ' ' ILE . . . . . 0.648 HG21 HD13 ' A' ' 654' ' ' LEU . 81.5 mt -120.71 127.76 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.115 178.632 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 642' ' ' TRP . . . . . 0.439 ' HB3' ' HG2' ' B' ' 43' ' ' LYS . 72.5 t90 -97.15 122.58 40.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.072 0.463 . . . . 0.0 111.471 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 643' ' ' LEU . . . . . 0.508 HD23 ' HB ' ' B' ' 44' ' ' VAL . 89.6 mt -119.78 139.94 51.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.344 178.574 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 2.0 t -75.48 143.73 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -62.72 147.93 48.17 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -177.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 103.02 -5.54 50.24 Favored Glycine 0 C--N 1.335 0.52 0 CA-C-N 115.464 -0.789 . . . . 0.0 113.954 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -114.0 94.11 4.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 117.648 0.724 . . . . 0.0 112.349 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 78.7 t -70.71 -42.02 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.223 178.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 16.8 pm0 -57.75 -31.53 66.58 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 121.184 -0.206 . . . . 0.0 111.276 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 89.0 mmt-85 -67.55 -38.94 84.9 Favored 'General case' 0 C--O 1.231 0.13 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.529 HD13 HD21 ' A' ' 677' ' ' LEU . 95.5 mt -66.56 -40.65 89.1 Favored 'General case' 0 C--O 1.228 -0.071 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.423 179.473 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 67.3 tp -66.33 -43.91 84.84 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.493 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 653' ' ' ALA . . . . . 0.465 ' HB2' HG13 ' B' ' 22' ' ' VAL . . . -60.28 -39.7 87.81 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.854 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 654' ' ' LEU . . . . . 0.648 HD13 HG21 ' A' ' 641' ' ' ILE . 86.7 mt -109.04 30.22 6.77 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -178.696 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 655' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -32.24 103.25 0.21 Allowed Pre-proline 0 N--CA 1.477 0.918 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -178.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 656' ' ' PRO . . . . . 0.659 ' HB3' HG23 ' A' ' 617' ' ' VAL . 43.1 Cg_endo -87.58 176.92 3.89 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.722 2.948 . . . . 0.0 112.8 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 45.8 pt -82.88 -23.64 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.587 0.708 . . . . 0.0 109.179 177.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -150.63 143.55 24.67 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.222 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.682 HG23 HD11 ' A' ' 686' ' ' LEU . 69.7 t -111.55 124.26 68.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.988 179.454 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.582 HD23 ' HB2' ' A' ' 689' ' ' PHE . 76.1 mt -106.38 119.74 40.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.467 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 661' ' ' LEU . . . . . 0.499 HD23 ' HB ' ' A' ' 619' ' ' VAL . 74.1 mt -108.2 124.93 51.03 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -128.63 147.52 50.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.072 0.463 . . . . 0.0 111.618 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -73.87 157.16 87.58 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.8 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 664' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -85.04 161.07 65.01 Favored 'Cis proline' 0 C--N 1.351 0.667 0 C-N-CA 124.223 -1.157 . . . . 0.0 113.596 -0.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -113.63 103.79 11.59 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 76.9 p -99.35 -21.62 15.94 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -118.97 110.83 17.59 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.45 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 86.71 162.56 37.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.906 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -96.23 145.9 25.16 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 74.2 t -60.62 -45.65 97.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 120.685 0.278 . . . . 0.0 110.815 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 19.2 pm0 -65.44 -29.99 70.74 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.041 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -68.4 -46.33 70.27 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.102 0.477 . . . . 0.0 110.768 179.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 58.9 tp -65.82 -44.49 85.42 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.011 -178.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 34.8 m -66.28 -36.87 78.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.818 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.66 -43.03 94.9 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.331 178.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -65.2 -40.02 93.62 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.856 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 677' ' ' LEU . . . . . 0.529 HD21 HD13 ' A' ' 651' ' ' LEU . 84.5 mt -64.05 -39.3 93.77 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.6 178.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -61.93 -38.84 89.94 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.217 0.532 . . . . 0.0 110.027 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -64.65 -36.12 83.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.398 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 88.7 mmt-85 -85.64 -41.31 15.32 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.902 -178.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 71.8 m -132.08 144.66 50.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.71 0.291 . . . . 0.0 111.084 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 56.6 p -73.22 157.41 88.29 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.716 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -55.01 -37.83 93.65 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 122.948 2.432 . . . . 0.0 113.466 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -75.01 -33.17 61.78 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.372 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -72.3 -37.84 68.88 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.788 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 686' ' ' LEU . . . . . 0.682 HD11 HG23 ' A' ' 659' ' ' VAL . 67.0 tp -133.09 129.97 38.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.722 0.296 . . . . 0.0 111.209 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -96.9 139.88 32.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.398 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 688' ' ' ILE . . . . . . . . . . . . . 81.6 mt -120.21 127.47 75.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.653 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 689' ' ' PHE . . . . . 0.582 ' HB2' HD23 ' A' ' 660' ' ' LEU . 99.0 m-85 -125.13 144.72 50.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.712 0.291 . . . . 0.0 110.572 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 86.9 mt -118.4 125.69 74.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.948 0.404 . . . . 0.0 110.35 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 691' ' ' LEU . . . . . 0.606 HD11 ' HE1' ' A' ' 713' ' ' PHE . 9.6 mp -106.62 136.91 45.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.112 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 692' ' ' GLY . . . . . 0.414 ' HA2' HD13 ' A' ' 706' ' ' LEU . . . 84.8 4.25 87.43 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.942 178.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 45.1 t -137.75 144.09 41.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 117.191 0.496 . . . . 0.0 110.698 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -133.26 132.49 41.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.497 . . . . 0.0 109.996 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . -177.05 -163.46 29.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.084 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -132.44 77.58 1.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.962 0.41 . . . . 0.0 110.807 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 697' ' ' TYR . . . . . 0.412 ' O ' HG12 ' A' ' 700' ' ' VAL . 78.7 t80 -125.76 133.03 52.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.98 179.637 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -69.37 153.72 43.14 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.975 0.417 . . . . 0.0 111.935 -179.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 105.52 -6.37 41.69 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.864 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 700' ' ' VAL . . . . . 0.499 HG11 ' CZ ' ' A' ' 703' ' ' TYR . 8.3 p -120.37 136.61 56.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.82 0.343 . . . . 0.0 110.362 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -70.31 -42.24 72.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.355 -0.384 . . . . 0.0 112.004 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 30.0 ttt85 -166.15 157.86 13.8 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.8 0.333 . . . . 0.0 111.553 -178.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 703' ' ' TYR . . . . . 0.499 ' CZ ' HG11 ' A' ' 700' ' ' VAL . 96.6 m-85 -108.17 139.05 43.42 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.662 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 4.5 mp -116.33 93.49 39.74 Favored Pre-proline 0 CA--C 1.534 0.361 0 CA-C-O 120.984 0.421 . . . . 0.0 110.266 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -63.63 149.84 89.93 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 123.529 2.819 . . . . 0.0 113.101 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 706' ' ' LEU . . . . . 0.46 ' HA ' ' C ' ' A' ' 707' ' ' PRO . 4.0 mp -100.4 159.49 29.56 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.215 179.125 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 707' ' ' PRO . . . . . 0.46 ' C ' ' HA ' ' A' ' 706' ' ' LEU . 37.8 Cg_endo -64.52 148.92 71.27 Favored 'Cis proline' 0 C--N 1.355 0.894 0 C-N-CA 124.076 -1.218 . . . . 0.0 113.345 1.157 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 708' ' ' ILE . . . . . 0.449 HD12 HD23 ' A' ' 691' ' ' LEU . 16.6 tt -84.62 133.84 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.858 -178.586 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -113.58 132.69 22.42 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -52.57 -57.29 2.16 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.153 2.569 . . . . 0.0 114.624 -177.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -66.05 -32.55 74.08 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 66.1 m -70.23 -45.89 65.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.872 0.368 . . . . 0.0 111.066 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 713' ' ' PHE . . . . . 0.606 ' HE1' HD11 ' A' ' 691' ' ' LEU . 86.1 t80 -59.65 -49.6 77.11 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.644 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 62.8 tp -61.38 -45.56 93.87 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 715' ' ' GLN . . . . . 0.499 ' O ' HG22 ' A' ' 718' ' ' THR . 56.4 mt-30 -65.89 -40.8 91.88 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.364 -179.418 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -65.0 -44.29 89.75 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.724 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 717' ' ' VAL . . . . . . . . . . . . . 60.1 t -65.88 -43.38 93.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.264 178.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 718' ' ' THR . . . . . 0.499 HG22 ' O ' ' A' ' 715' ' ' GLN . 0.6 OUTLIER -60.65 -38.37 84.62 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 120.743 0.306 . . . . 0.0 110.955 -179.387 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 66.9 ttp -63.47 -43.81 96.26 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.642 178.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -63.43 -38.43 96.36 Favored Glycine 0 CA--C 1.522 0.491 0 C-N-CA 121.111 -0.566 . . . . 0.0 112.741 178.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 6.9 mp -68.33 -7.99 36.01 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -179.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 71.0 p -66.15 -21.97 66.36 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 118.024 0.375 . . . . 0.0 111.646 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 64.5 m -89.25 -6.73 56.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 110.639 179.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 724' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.22 -36.65 7.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.646 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -137.99 155.72 48.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 65.5 p -68.51 -25.72 65.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.134 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 93.1 p -147.52 157.83 43.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.658 0.266 . . . . 0.0 110.858 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -152.54 157.99 41.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.407 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.861 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 95.8 mmm . . . . . 0 N--CA 1.489 1.497 0 CA-C-O 120.647 0.26 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.62 62.21 11.36 Favored Pre-proline 0 N--CA 1.47 0.551 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.403 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -58.29 -38.49 90.55 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 122.876 2.384 . . . . 0.0 113.161 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -134.53 167.35 20.95 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.154 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 88.6 mtm-85 60.97 -143.27 0.49 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.362 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt 56.62 37.52 28.88 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.01 0.524 . . . . 0.0 112.338 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.406 HG21 ' HB ' ' A' ' 634' ' ' THR . 78.6 p -84.22 159.85 20.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.26 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.495 ' HB3' ' HB3' ' B' ' 40' ' ' TYR . . . -95.72 154.02 17.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.261 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 93.0 t -112.9 118.33 57.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 65.7 tp -108.03 126.04 52.26 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.076 177.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -105.65 138.7 41.4 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.301 0.572 . . . . 0.0 112.054 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.538 HD21 HD13 ' B' ' 28' ' ' LEU . 0.9 OUTLIER -124.42 117.38 24.31 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.771 179.343 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -99.09 127.96 45.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.305 179.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.6 m -135.44 168.18 23.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.522 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.52 142.26 29.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.872 0.367 . . . . 0.0 111.629 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.27 174.75 50.11 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.866 -0.606 . . . . 0.0 113.604 178.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -113.25 22.36 14.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.814 0.34 . . . . 0.0 110.584 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 72.8 p -71.09 154.12 94.19 Favored Pre-proline 0 C--O 1.235 0.308 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.67 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.406 ' HA ' ' HB ' ' B' ' 22' ' ' VAL . 30.2 Cg_endo -62.67 -26.51 75.51 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.221 1.947 . . . . 0.0 112.569 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -62.21 -41.92 98.83 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.979 0.419 . . . . 0.0 109.964 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 74.6 m -70.54 -39.33 74.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.573 178.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.609 ' O ' ' HG3' ' B' ' 26' ' ' LYS . 56.4 t -63.84 -48.79 84.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.823 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -65.14 -35.68 81.87 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.423 ' HB1' ' HB2' ' B' ' 80' ' ' LEU . . . -59.17 -40.74 86.56 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.809 0.337 . . . . 0.0 111.168 -179.147 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.481 HD13 ' HA ' ' B' ' 25' ' ' LEU . 0.7 OUTLIER -71.31 -39.36 71.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.961 179.252 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.609 ' HG3' ' O ' ' B' ' 22' ' ' VAL . 31.6 mtpt -65.56 -41.94 92.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.028 -178.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 55.9 p -71.71 -39.66 70.01 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.662 0.268 . . . . 0.0 111.327 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.538 HD13 HD21 ' B' ' 12' ' ' LEU . 2.8 tt -66.1 -43.01 88.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.71 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.33 98.4 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.239 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -61.96 -46.12 90.69 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.896 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.461 HD11 ' HG3' ' B' ' 83' ' ' ARG . 92.3 mt -65.63 -43.72 93.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.725 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 53.1 tp -62.66 -47.31 84.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.328 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.681 ' O ' ' HB2' ' B' ' 37' ' ' LYS . 86.6 tt0 -63.71 -41.94 98.01 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -179.293 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 29.9 tptp -78.98 -52.0 8.84 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -178.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.459 ' O ' ' HD1' ' B' ' 36' ' ' PHE . 53.7 tp10 -74.27 -47.98 31.52 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 -177.171 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' PHE . . . . . 0.459 ' HD1' ' O ' ' B' ' 35' ' ' GLU . 0.4 OUTLIER -132.37 69.46 1.48 Allowed 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -177.516 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.681 ' HB2' ' O ' ' B' ' 33' ' ' GLU . 40.2 ttpt -80.01 125.59 29.96 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.287 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.73 -9.89 75.6 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 121.089 -0.577 . . . . 0.0 114.441 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 79.4 t -70.83 -44.65 75.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 117.171 0.485 . . . . 0.0 111.982 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' TYR . . . . . 0.495 ' HB3' ' HB3' ' B' ' 8' ' ' ALA . 53.9 p90 -151.13 164.67 35.96 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.81 155.45 18.13 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.594 -178.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 67.6 tp -116.06 131.21 57.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.829 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.439 ' HG2' ' HB3' ' A' ' 642' ' ' TRP . 98.5 mttt -119.19 133.54 55.71 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.573 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.508 ' HB ' HD23 ' A' ' 643' ' ' LEU . 57.8 t -121.54 127.98 75.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 121.077 0.465 . . . . 0.0 112.133 -178.566 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 4.8 mp -122.9 133.1 69.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.204 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -93.41 115.51 28.05 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.23 -45.72 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -178.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 89.0 mt -64.55 -38.85 92.45 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -179.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -70.1 -40.08 75.14 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.612 0.244 . . . . 0.0 111.244 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -129.39 78.61 75.47 Favored Pre-proline 0 C--O 1.233 0.226 0 CA-C-N 116.773 -0.194 . . . . 0.0 110.645 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_exo -56.04 -34.12 91.54 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.19 2.594 . . . . 0.0 112.918 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.51 ' O ' ' HG2' ' B' ' 56' ' ' GLU . 19.9 pm0 -63.61 -31.75 73.01 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.955 -179.476 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 84.2 mt -70.47 -40.72 73.49 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.893 0.378 . . . . 0.0 110.415 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ALA . . . . . 0.402 ' HB1' ' HB ' ' B' ' 59' ' ' ILE . . . -64.3 -39.42 93.88 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.419 178.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.55 -35.15 79.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.359 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' B' ' 52' ' ' GLN . 79.4 mm-40 -65.55 -38.71 90.39 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.395 -179.016 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -98.92 11.08 39.95 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.549 0.214 . . . . 0.0 111.372 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 55.59 47.04 21.65 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 122.859 0.463 . . . . 0.0 112.047 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.402 ' HB ' ' HB1' ' B' ' 54' ' ' ALA . 47.6 mm -87.18 117.68 31.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.341 . . . . 0.0 110.666 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.9 mp -115.39 -7.14 12.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.659 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -147.92 149.27 31.92 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.68 0.276 . . . . 0.0 111.258 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 67.3 p -134.32 153.06 79.15 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.607 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -72.88 150.88 96.24 Favored 'Cis proline' 0 C--N 1.349 0.574 0 C-N-CA 123.753 -1.353 . . . . 0.0 112.87 -0.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.54 126.9 44.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.538 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.69 HD22 HD12 ' B' ' 76' ' ' ILE . 6.5 tt -99.54 117.6 34.29 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.047 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.56 130.02 56.51 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -178.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.48 ' HB3' ' H ' ' B' ' 74' ' ' ARG . 83.6 tttt -98.42 119.48 37.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.315 177.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.446 HG12 ' HG ' ' B' ' 69' ' ' LEU . 46.3 t -106.91 -57.03 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.745 0.307 . . . . 0.0 111.397 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.446 ' HG ' HG12 ' B' ' 68' ' ' VAL . 83.5 mt -128.82 136.79 29.7 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.737 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -80.59 157.58 85.7 Favored 'Cis proline' 0 C--N 1.347 0.469 0 C-N-CA 123.69 -1.379 . . . . 0.0 112.342 -1.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.2 165.7 31.3 Favored 'Trans proline' 0 CA--C 1.533 0.465 0 C-N-CA 122.691 2.261 . . . . 0.0 112.068 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -70.94 157.86 95.03 Favored 'Cis proline' 0 C--N 1.353 0.798 0 C-N-CA 124.394 -1.086 . . . . 0.0 114.124 1.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 25.7 m -77.78 139.35 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.276 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.48 ' H ' ' HB3' ' B' ' 67' ' ' LYS . 30.6 mmm180 -134.15 151.12 51.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.452 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -129.21 129.38 44.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.809 0.338 . . . . 0.0 110.762 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' ILE . . . . . 0.69 HD12 HD22 ' B' ' 65' ' ' LEU . 83.6 mt -117.53 125.52 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.168 179.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 80.1 mt -115.31 125.0 72.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.186 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.65 -178.15 47.78 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.518 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -88.33 109.29 19.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.668 0.27 . . . . 0.0 110.542 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.423 ' HB2' ' HB1' ' B' ' 24' ' ' ALA . 95.7 mt -88.11 2.51 51.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.813 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 69.2 m -64.13 -32.67 74.32 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.179 0.514 . . . . 0.0 110.351 178.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.45 ' OD1' ' HB3' ' B' ' 84' ' ' GLU . 28.6 t-20 -86.38 114.57 23.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.427 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 83' ' ' ARG . . . . . 0.461 ' HG3' HD11 ' B' ' 31' ' ' ILE . 44.3 ttm180 -60.09 -38.4 82.82 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.23 -178.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 84' ' ' GLU . . . . . 0.45 ' HB3' ' OD1' ' B' ' 82' ' ' ASN . 88.8 tt0 -58.22 -47.29 83.96 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 120.53 0.205 . . . . 0.0 110.947 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -66.18 -36.95 84.42 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.528 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.412 HG23 ' O ' ' B' ' 82' ' ' ASN . 77.4 t -60.65 -43.28 94.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 67.2 tp -60.76 -43.78 97.59 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.8 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 92.6 mt -61.7 -48.18 89.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.129 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.23 -42.16 96.68 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.035 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 6.2 mp -71.24 -30.84 66.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.461 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 18.1 tpp85 -61.38 -40.69 95.25 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.853 0.358 . . . . 0.0 110.097 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.52 -40.28 96.64 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.932 178.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.47 HD11 HD21 ' B' ' 65' ' ' LEU . 89.7 mt -64.66 -39.62 94.01 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.264 178.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.18 -40.55 96.4 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.125 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.32 -39.75 94.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.673 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -64.6 -40.97 96.47 Favored 'General case' 0 N--CA 1.461 0.103 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.7 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 11.1 tp -76.41 -34.11 24.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.998 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -63.96 -38.48 96.13 Favored Glycine 0 C--N 1.337 0.589 0 C-N-CA 121.066 -0.588 . . . . 0.0 112.32 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -136.51 97.78 3.65 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -69.88 131.24 44.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.135 -178.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -104.99 142.47 34.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.581 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -155.9 159.97 39.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.208 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 31.0 t0 56.89 47.13 18.42 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 123.56 0.538 . . . . 0.0 111.361 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -90.47 104.18 16.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.484 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -156.37 159.05 38.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.281 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 88.2 tttt . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.374 -0.822 . . . . 0.0 110.507 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.983 0.421 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . -122.35 145.01 16.39 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.65 -0.785 . . . . 0.0 112.61 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 615' ' ' ARG . . . . . 0.48 ' O ' HG22 ' A' ' 657' ' ' ILE . 99.8 mtt180 -75.99 130.84 39.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.482 0.182 . . . . 0.0 110.68 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.455 HD11 HD11 ' A' ' 721' ' ' LEU . 49.6 mm -124.71 126.84 72.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.612 179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 617' ' ' VAL . . . . . 0.748 HG22 ' HG3' ' A' ' 656' ' ' PRO . 20.5 m -125.3 147.12 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 110.174 178.661 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.66 HD13 HG21 ' A' ' 629' ' ' ILE . 1.5 tt -124.95 131.46 53.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.92 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 59.3 t -117.21 123.54 71.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 9.5 t -163.81 179.77 6.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.629 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -109.34 -11.68 14.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.356 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -96.53 106.77 19.08 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.804 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 25.6 pm0 -71.55 -19.65 62.13 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -62.56 -40.72 97.75 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -178.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.17 -22.0 53.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.259 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 51.8 m -61.5 -45.59 93.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.208 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 86.6 m -65.47 -42.79 91.89 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.775 0.322 . . . . 0.0 111.338 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.25 -46.94 75.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.634 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 629' ' ' ILE . . . . . 0.66 HG21 HD13 ' A' ' 618' ' ' LEU . 1.0 OUTLIER -65.85 -41.89 91.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.718 -178.882 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 630' ' ' CYS . . . . . 0.53 ' HA ' HG11 ' A' ' 640' ' ' VAL . 92.9 m -62.49 -42.99 99.87 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.126 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 631' ' ' SER . . . . . 0.499 ' O ' HG22 ' A' ' 635' ' ' THR . 49.5 m -65.36 -43.13 91.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.415 -179.521 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 632' ' ' ILE . . . . . 0.42 HD13 ' HA ' ' A' ' 710' ' ' PRO . 91.2 mt -62.15 -47.83 91.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -178.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 633' ' ' LEU . . . . . 0.424 HD23 HG21 ' A' ' 616' ' ' ILE . 0.9 OUTLIER -78.45 -38.23 41.72 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -178.61 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 634' ' ' THR . . . . . 0.592 ' HB ' HG21 ' B' ' 7' ' ' THR . 93.6 m -63.4 -44.77 93.74 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -178.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 635' ' ' THR . . . . . 0.532 HG21 ' O ' ' B' ' 4' ' ' LEU . 12.1 t -66.61 -17.41 64.82 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.692 0.282 . . . . 0.0 111.467 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -87.43 -0.24 56.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.378 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 94.95 9.12 58.63 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.71 -0.757 . . . . 0.0 113.199 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 638' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -96.62 147.19 24.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.967 0.383 . . . . 0.0 110.886 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -84.99 127.63 34.27 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 179.071 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 640' ' ' VAL . . . . . 0.53 HG11 ' HA ' ' A' ' 630' ' ' CYS . 59.0 t -127.29 127.37 69.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -177.194 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 641' ' ' ILE . . . . . 0.741 HG21 HD13 ' A' ' 654' ' ' LEU . 85.3 mt -126.68 127.24 69.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.035 177.242 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 642' ' ' TRP . . . . . 0.442 ' HB3' ' HG2' ' B' ' 43' ' ' LYS . 28.6 t-105 -93.67 116.43 28.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.342 -0.39 . . . . 0.0 109.957 179.003 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 643' ' ' LEU . . . . . 0.46 HD21 HD12 ' A' ' 654' ' ' LEU . 89.5 mt -114.51 138.38 50.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.752 0.311 . . . . 0.0 110.591 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 644' ' ' VAL . . . . . 0.429 HG22 ' H ' ' A' ' 644' ' ' VAL . 2.4 m -80.16 148.96 5.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.269 0.557 . . . . 0.0 110.943 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -64.9 146.36 55.04 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -178.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 103.04 -12.29 55.88 Favored Glycine 0 C--N 1.337 0.592 0 N-CA-C 115.168 0.827 . . . . 0.0 115.168 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -114.62 113.49 24.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 118.31 1.055 . . . . 0.0 112.907 -179.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 648' ' ' VAL . . . . . 0.441 HG21 ' OE1' ' A' ' 676' ' ' GLN . 58.5 t -83.95 -35.26 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.487 178.562 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 46.7 mp0 -58.73 -37.08 75.39 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 14.9 mmp_? -62.28 -38.75 90.53 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -70.69 -44.24 67.4 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.925 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 68.3 tp -64.91 -46.23 82.59 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.79 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 653' ' ' ALA . . . . . 0.747 ' HB2' HG13 ' B' ' 22' ' ' VAL . . . -59.93 -39.5 85.72 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.291 0.567 . . . . 0.0 111.572 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 654' ' ' LEU . . . . . 0.741 HD13 HG21 ' A' ' 641' ' ' ILE . 91.0 mt -106.64 30.03 6.42 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.08 -179.436 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 655' ' ' THR . . . . . . . . . . . . . 4.5 t -42.2 106.18 0.44 Allowed Pre-proline 0 N--CA 1.471 0.622 0 CA-C-O 121.915 0.864 . . . . 0.0 112.764 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 656' ' ' PRO . . . . . 0.748 ' HG3' HG22 ' A' ' 617' ' ' VAL . 34.0 Cg_endo -88.81 177.01 3.18 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 123.939 3.093 . . . . 0.0 113.415 -179.604 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.48 HG22 ' O ' ' A' ' 615' ' ' ARG . 20.5 tt -74.64 -28.6 22.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.384 177.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -149.3 148.6 29.73 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.702 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.51 HG23 HD11 ' A' ' 686' ' ' LEU . 70.4 t -116.95 127.52 74.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.742 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.56 HD23 ' HB2' ' A' ' 689' ' ' PHE . 72.6 mt -105.0 122.04 45.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.38 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 661' ' ' LEU . . . . . 0.42 ' O ' ' HA ' ' A' ' 690' ' ' ILE . 67.9 mt -112.23 129.08 56.38 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 179.133 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -124.6 143.18 50.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.013 0.435 . . . . 0.0 111.916 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -72.21 157.73 88.78 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.868 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 664' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -82.64 147.42 63.53 Favored 'Cis proline' 0 C--N 1.352 0.742 0 C-N-CA 124.094 -1.211 . . . . 0.0 113.887 -0.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -116.64 79.82 1.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.628 178.549 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 79.5 p -99.59 -31.81 11.41 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -70.11 -42.03 73.21 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 120.841 0.353 . . . . 0.0 111.643 -179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -127.32 156.85 20.59 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.624 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 669' ' ' ASP . . . . . 0.406 ' OD2' ' HB2' ' A' ' 671' ' ' GLN . 38.5 t70 -92.92 127.94 38.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.546 0.212 . . . . 0.0 110.967 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 670' ' ' VAL . . . . . 0.44 ' O ' HG23 ' A' ' 674' ' ' VAL . 72.3 t -59.94 -44.65 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.251 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 671' ' ' GLN . . . . . 0.406 ' HB2' ' OD2' ' A' ' 669' ' ' ASP . 28.4 mm100 -61.42 -39.05 89.37 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.901 0.381 . . . . 0.0 110.372 179.545 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -60.84 -45.76 93.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.848 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 89.3 mt -65.04 -40.89 95.44 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.33 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 674' ' ' VAL . . . . . 0.47 HG22 HD13 ' A' ' 688' ' ' ILE . 65.0 t -60.93 -47.7 92.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 -179.347 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -62.38 -44.95 95.24 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.825 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 676' ' ' GLN . . . . . 0.441 ' OE1' HG21 ' A' ' 648' ' ' VAL . 53.3 tt0 -67.38 -39.34 85.62 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.653 -179.375 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.53 -37.72 88.37 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.912 -0.131 . . . . 0.0 111.196 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -61.07 -36.73 80.41 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.065 0.459 . . . . 0.0 110.511 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -63.25 -36.34 83.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.33 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -87.74 -47.81 8.35 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.826 -178.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 75.9 m -127.62 142.96 51.21 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.793 0.33 . . . . 0.0 110.951 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 54.1 p -72.7 152.59 91.45 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.707 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -62.45 -25.86 76.22 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 122.627 2.218 . . . . 0.0 113.373 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -76.47 -21.47 55.81 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -96.48 -35.27 11.19 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.064 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 686' ' ' LEU . . . . . 0.51 HD11 HG23 ' A' ' 659' ' ' VAL . 0.7 OUTLIER -131.93 130.61 41.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.872 179.534 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -114.84 149.22 37.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.065 0.459 . . . . 0.0 111.304 -179.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 688' ' ' ILE . . . . . 0.47 HD13 HG22 ' A' ' 674' ' ' VAL . 78.7 mt -111.31 128.42 67.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.676 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 689' ' ' PHE . . . . . 0.56 ' HB2' HD23 ' A' ' 660' ' ' LEU . 92.0 m-85 -122.95 145.57 48.36 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 690' ' ' ILE . . . . . 0.505 HD12 HG21 ' A' ' 700' ' ' VAL . 94.7 mt -122.67 129.82 74.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.255 0.55 . . . . 0.0 111.899 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 691' ' ' LEU . . . . . 0.515 HD11 ' HE1' ' A' ' 713' ' ' PHE . 4.1 mp -88.91 112.95 23.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.245 178.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 151.56 -166.27 30.69 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.635 -179.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 63.6 m -118.87 136.34 54.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.985 0.392 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 53.9 -131.77 1.99 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.827 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . 100.66 -21.57 43.36 Favored Glycine 0 C--N 1.332 0.354 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.865 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 59.7 t30 52.66 50.7 17.58 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 122.758 0.423 . . . . 0.0 112.099 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -102.96 140.97 36.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.175 0.512 . . . . 0.0 111.436 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -91.82 154.46 18.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.229 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 80.11 17.46 74.34 Favored Glycine 0 C--N 1.333 0.397 0 C-N-CA 120.72 -0.752 . . . . 0.0 113.002 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 700' ' ' VAL . . . . . 0.505 HG21 HD12 ' A' ' 690' ' ' ILE . 48.3 t -105.02 118.41 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.775 0.321 . . . . 0.0 110.328 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -70.28 -41.49 73.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.037 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 18.0 tpt180 -154.5 145.21 22.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.744 0.307 . . . . 0.0 111.452 -178.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -105.08 141.94 35.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.144 178.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 4.1 mm -108.27 99.92 34.56 Favored Pre-proline 0 C--N 1.329 -0.293 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -59.3 143.73 99.63 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.081 2.521 . . . . 0.0 113.28 -179.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 706' ' ' LEU . . . . . 0.821 HD23 HG23 ' A' ' 708' ' ' ILE . 79.2 mt -102.6 145.33 30.33 Favored Pre-proline 0 C--O 1.233 0.214 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.436 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 707' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -72.33 159.16 96.43 Favored 'Cis proline' 0 C--N 1.35 0.61 0 C-N-CA 123.845 -1.315 . . . . 0.0 112.484 -0.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 708' ' ' ILE . . . . . 0.821 HG23 HD23 ' A' ' 706' ' ' LEU . 45.3 pt -105.96 152.41 7.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.274 0.559 . . . . 0.0 111.597 -179.171 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -112.79 149.29 40.99 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 710' ' ' PRO . . . . . 0.42 ' HA ' HD13 ' A' ' 632' ' ' ILE . 85.9 Cg_exo -52.87 -49.25 18.22 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.547 2.165 . . . . 0.0 113.227 -179.204 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 51.3 mp0 -66.93 -40.47 87.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.096 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 68.0 m -63.45 -46.46 86.16 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.22 -179.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 713' ' ' PHE . . . . . 0.515 ' HE1' HD11 ' A' ' 691' ' ' LEU . 87.0 t80 -60.28 -48.43 81.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.762 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 65.0 tp -62.09 -45.32 94.03 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.057 -0.519 . . . . 0.0 112.373 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -64.83 -41.26 95.89 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -178.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.73 -46.38 85.62 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.497 0.189 . . . . 0.0 111.097 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 717' ' ' VAL . . . . . 0.415 ' O ' ' HG ' ' A' ' 721' ' ' LEU . 64.7 t -63.93 -45.15 97.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.919 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 93.7 m -62.08 -46.84 87.31 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.005 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -62.82 -40.65 98.05 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.326 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -62.04 -40.54 99.05 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.244 -0.979 . . . . 0.0 111.723 178.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 721' ' ' LEU . . . . . 0.455 HD11 HD11 ' A' ' 616' ' ' ILE . 94.5 mt -66.79 -38.2 86.07 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 76.8 p -67.66 -23.6 65.34 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 95.6 p -89.72 -4.75 57.56 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.585 0.231 . . . . 0.0 111.35 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 724' ' ' LEU . . . . . . . . . . . . . 1.5 tt -66.12 -41.55 90.38 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.243 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -147.17 155.53 42.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.864 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 70.2 p -70.44 -26.4 63.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.599 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 61.1 m -118.85 139.54 51.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.455 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -62.81 -40.53 97.68 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.627 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.361 -0.828 . . . . 0.0 110.613 179.81 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 63.0 mtt . . . . . 0 N--CA 1.489 1.513 0 CA-C-O 120.597 0.237 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.63 62.93 10.18 Favored Pre-proline 0 N--CA 1.469 0.499 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.302 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -70.46 -19.37 32.87 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.652 2.235 . . . . 0.0 113.564 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.615 ' H ' HD23 ' B' ' 4' ' ' LEU . 1.1 pt? -92.25 53.49 2.14 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.396 0.617 . . . . 0.0 111.697 -179.066 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 -124.02 22.61 8.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.761 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.68 72.5 8.67 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.509 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.592 HG21 ' HB ' ' A' ' 634' ' ' THR . 81.6 p -130.32 157.16 43.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.398 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -108.62 153.39 23.47 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 14.5 m -126.48 133.5 68.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.442 0.639 . . . . 0.0 112.518 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mp -103.46 128.48 50.62 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.852 178.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.818 ' HB2' ' HB3' ' B' ' 66' ' ' ALA . 21.4 mmmt -100.99 109.06 20.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.775 0.321 . . . . 0.0 110.392 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.475 ' HB2' HD11 ' B' ' 42' ' ' LEU . 1.4 tt -102.16 113.37 26.57 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.375 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' TYR . . . . . 0.493 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 92.9 m-85 -98.64 130.65 45.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.775 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 16.6 m -131.63 166.6 28.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.095 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -133.56 115.66 14.98 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.506 -179.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.03 -176.79 51.97 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.008 -0.615 . . . . 0.0 113.846 178.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 33.1 p-10 -109.95 28.02 9.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.324 -0.438 . . . . 0.0 110.934 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 68.2 p -69.13 155.06 94.31 Favored Pre-proline 0 C--O 1.235 0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.69 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -55.47 -36.53 94.37 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 123.266 2.644 . . . . 0.0 113.289 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -60.53 -42.93 97.49 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.849 0.357 . . . . 0.0 110.787 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 74.8 m -68.43 -39.52 81.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.277 0.56 . . . . 0.0 109.933 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.747 HG13 ' HB2' ' A' ' 653' ' ' ALA . 56.2 t -63.84 -47.36 91.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 115.158 -0.928 . . . . 0.0 112.123 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 41.6 ptt180 -69.78 -29.74 67.13 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -178.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.75 -42.75 99.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.819 0.343 . . . . 0.0 111.825 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.472 ' HB3' HD21 ' A' ' 654' ' ' LEU . 81.8 mt -65.59 -42.94 91.12 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -179.273 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -70.15 -32.61 70.67 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -178.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 50.4 p -71.8 -40.05 69.45 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.332 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.591 ' HA ' HG11 ' B' ' 86' ' ' VAL . 3.9 tt -70.07 -41.28 74.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.952 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.33 -40.39 94.06 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.689 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -61.48 -44.28 97.37 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.798 0.333 . . . . 0.0 110.743 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.41 HD11 ' HG3' ' B' ' 83' ' ' ARG . 95.4 mt -67.77 -41.16 84.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.422 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 9.6 tt -61.84 -47.18 86.24 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.022 -179.266 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' B' ' 37' ' ' LYS . 22.4 pt-20 -71.81 -18.89 62.06 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -178.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -97.76 -61.83 1.33 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.486 ' O ' ' HD1' ' B' ' 36' ' ' PHE . 80.1 mm-40 -66.21 -44.46 83.81 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -177.326 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' PHE . . . . . 0.486 ' HD1' ' O ' ' B' ' 35' ' ' GLU . 0.6 OUTLIER -131.69 64.58 1.59 Allowed 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -178.369 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' B' ' 33' ' ' GLU . 64.7 tttm -74.34 126.09 29.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.99 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.5 18.92 72.5 Favored Glycine 0 CA--C 1.522 0.494 0 C-N-CA 121.013 -0.613 . . . . 0.0 113.79 179.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 47.8 t -109.12 -42.77 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 117.149 0.474 . . . . 0.0 111.807 -179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -145.09 161.37 39.61 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.258 0.551 . . . . 0.0 111.981 -179.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.25 157.88 21.19 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.581 -178.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.475 HD11 ' HB2' ' B' ' 12' ' ' LEU . 65.1 tp -114.48 132.15 56.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.664 -179.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.442 ' HG2' ' HB3' ' A' ' 642' ' ' TRP . 99.4 mttt -116.53 135.09 54.11 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.544 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.422 ' HB ' HD23 ' A' ' 643' ' ' LEU . 58.9 t -121.44 125.87 74.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 120.942 0.401 . . . . 0.0 111.878 -178.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.9 mp -127.13 135.53 63.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.535 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -94.35 112.53 24.32 Favored 'General case' 0 N--CA 1.461 0.118 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.049 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 35.6 m -65.02 -30.29 49.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -177.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 90.2 mt -67.18 -41.56 85.7 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -71.46 -38.71 71.25 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -128.47 78.51 75.65 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 120.659 0.266 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -56.86 -31.89 90.38 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 123.22 2.614 . . . . 0.0 112.909 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 18.7 pm0 -63.53 -30.54 71.64 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.785 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 86.5 mt -69.04 -41.26 77.89 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 110.082 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.87 95.76 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.377 178.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.44 -37.13 85.98 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.904 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -66.88 -40.48 87.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.037 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -96.15 6.87 47.86 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -179.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm 56.76 47.5 18.01 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 48.7 mm -107.36 118.08 54.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' B' ' 60' ' ' LEU . 1.1 mm? -121.63 14.37 10.98 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -179.249 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -147.81 153.4 39.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.693 -0.23 . . . . 0.0 110.885 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 66.3 p -143.16 146.62 37.44 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.915 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' PRO . . . . . 0.571 ' HB2' HD12 ' B' ' 80' ' ' LEU . 92.7 Cg_endo -80.11 143.6 66.35 Favored 'Cis proline' 0 C--N 1.348 0.529 0 C-N-CA 123.387 -1.505 . . . . 0.0 112.487 -1.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 99.0 m -130.21 134.5 47.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.245 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 75.0 mt -101.68 121.56 42.25 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.821 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' ALA . . . . . 0.818 ' HB3' ' HB2' ' B' ' 11' ' ' LYS . . . -112.26 133.7 54.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.252 179.239 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -104.1 106.77 17.39 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.832 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.604 HG12 ' HG ' ' B' ' 69' ' ' LEU . 86.3 t -74.98 -49.29 29.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.232 0.539 . . . . 0.0 109.838 178.424 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.604 ' HG ' HG12 ' B' ' 68' ' ' VAL . 82.8 mt -137.96 146.31 51.76 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.014 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -77.63 153.98 94.62 Favored 'Cis proline' 0 C--N 1.347 0.481 0 C-N-CA 123.818 -1.326 . . . . 0.0 112.159 -1.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -74.88 164.49 33.38 Favored 'Trans proline' 0 CA--C 1.534 0.5 0 C-N-CA 122.508 2.139 . . . . 0.0 112.268 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -71.09 157.59 95.57 Favored 'Cis proline' 0 C--N 1.353 0.769 0 C-N-CA 124.032 -1.237 . . . . 0.0 113.462 0.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 88.9 t -70.38 126.21 30.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.673 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -126.45 154.02 44.25 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.546 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -123.49 136.03 54.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.685 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 81.2 mt -117.05 121.26 67.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.279 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 82.1 mt -118.57 125.95 74.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.805 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 179.76 -169.34 40.2 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.318 -0.944 . . . . 0.0 112.571 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -85.97 102.89 14.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.685 0.279 . . . . 0.0 110.819 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.571 HD12 ' HB2' ' B' ' 63' ' ' PRO . 96.2 mt -91.31 -1.23 57.7 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.972 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 87.0 p -70.73 -21.96 62.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.206 0.527 . . . . 0.0 110.029 178.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 63.6 t-20 -94.43 115.83 28.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.709 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' ARG . . . . . 0.41 ' HG3' HD11 ' B' ' 31' ' ' ILE . 60.0 ttp180 -59.27 -36.57 75.77 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.542 -179.351 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.87 -45.76 89.41 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.634 0.254 . . . . 0.0 110.655 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' LYS . . . . . 0.517 ' HA ' HD12 ' B' ' 88' ' ' ILE . 30.0 mtpp -67.5 -36.68 81.55 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.608 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.591 HG11 ' HA ' ' B' ' 28' ' ' LEU . 78.1 t -60.03 -43.1 91.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.308 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.478 ' O ' ' HG2' ' B' ' 91' ' ' ARG . 63.3 tp -61.24 -41.62 97.2 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.819 178.264 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 88' ' ' ILE . . . . . 0.517 HD12 ' HA ' ' B' ' 85' ' ' LYS . 89.3 mt -60.08 -48.27 88.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.158 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.35 -42.46 96.24 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.975 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 81.9 mt -67.6 -35.57 79.23 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.478 ' HG2' ' O ' ' B' ' 87' ' ' LEU . 25.7 mmt85 -60.73 -39.63 89.36 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.9 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 88.9 mt -64.05 -41.29 97.44 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 120.969 0.414 . . . . 0.0 110.169 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 89.1 mt -66.96 -39.74 87.33 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.853 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.56 93.82 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.405 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.1 -39.27 94.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.733 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.74 -42.13 97.93 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.788 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 10.6 tp -76.66 -34.81 24.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-O 120.653 0.264 . . . . 0.0 110.984 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -64.04 -38.33 95.87 Favored Glycine 0 C--N 1.335 0.504 0 C-N-CA 121.194 -0.527 . . . . 0.0 112.744 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -86.09 75.4 9.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 0.0 110.633 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -111.53 122.88 49.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.309 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 59.6 mtmt -73.9 146.49 43.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.09 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 31.4 t0 59.07 48.43 10.67 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.007 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -87.1 104.27 16.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.448 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -91.33 101.89 14.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.56 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -150.13 173.92 13.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.47 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp . . . . . 0 C--O 1.249 1.069 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.499 179.95 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 . . . . . 0 N--CA 1.485 1.276 0 CA-C-O 120.648 0.261 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 614' ' ' GLY . . . . . 0.471 ' H ' HD13 ' A' ' 657' ' ' ILE . . . -91.67 -168.26 40.95 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 120.827 -0.701 . . . . 0.0 113.303 -179.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -80.5 150.84 29.5 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.965 0.412 . . . . 0.0 111.711 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.522 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 94.5 mt -122.01 128.39 75.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.878 178.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 617' ' ' VAL . . . . . 0.647 HG23 ' HB3' ' A' ' 656' ' ' PRO . 82.1 t -111.24 126.47 68.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.348 0.594 . . . . 0.0 111.472 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.447 HD22 ' HB2' ' A' ' 660' ' ' LEU . 0.2 OUTLIER -104.95 117.74 34.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.691 179.305 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 619' ' ' VAL . . . . . 0.564 ' HB ' HD23 ' A' ' 661' ' ' LEU . 60.0 t -111.66 111.86 38.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.359 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 620' ' ' SER . . . . . 0.613 ' HB3' ' HB3' ' A' ' 662' ' ' ALA . 83.7 p -160.08 163.3 33.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.023 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -95.84 -6.8 38.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.823 0.344 . . . . 0.0 110.585 179.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -97.94 101.13 12.53 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.958 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.21 -38.89 92.68 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.582 -0.736 . . . . 0.0 112.58 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -60.3 -43.45 96.28 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 89.9 m -65.53 -43.33 90.32 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.11 0.481 . . . . 0.0 110.388 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 74.4 m -63.51 -38.93 93.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.811 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 91.1 m -60.32 -43.42 96.41 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.962 0.41 . . . . 0.0 110.197 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 62.9 tp -61.99 -49.39 76.25 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.467 179.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 629' ' ' ILE . . . . . 0.415 ' HA ' HD12 ' A' ' 632' ' ' ILE . 72.2 mt -64.73 -37.88 81.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.734 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 89.9 m -59.05 -42.71 90.96 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 66.9 m -65.72 -39.61 91.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.115 0.484 . . . . 0.0 109.897 177.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 632' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 629' ' ' ILE . 72.7 mt -60.96 -48.0 90.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.883 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 633' ' ' LEU . . . . . 0.567 ' HB2' HG21 ' A' ' 640' ' ' VAL . 85.2 mt -87.0 -36.94 17.95 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 634' ' ' THR . . . . . 0.72 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 94.4 m -63.48 -42.66 98.56 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.177 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 635' ' ' THR . . . . . . . . . . . . . 14.6 m -61.28 -36.14 79.23 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.941 0.401 . . . . 0.0 110.75 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -69.81 -8.28 46.97 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.934 -0.575 . . . . 0.0 112.373 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 107.7 7.79 31.21 Favored Glycine 0 C--N 1.333 0.387 0 C-N-CA 120.437 -0.887 . . . . 0.0 113.224 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 638' ' ' TYR . . . . . 0.72 ' O ' ' HA ' ' A' ' 634' ' ' THR . 95.8 m-85 -98.52 148.38 23.81 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -101.71 112.28 24.81 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 640' ' ' VAL . . . . . 0.567 HG21 ' HB2' ' A' ' 633' ' ' LEU . 59.3 t -108.03 129.44 62.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -178.402 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 641' ' ' ILE . . . . . 0.613 HG21 HD13 ' A' ' 654' ' ' LEU . 78.6 mt -120.63 125.95 74.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.099 177.68 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 642' ' ' TRP . . . . . . . . . . . . . 73.1 t90 -94.59 117.06 29.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.963 0.411 . . . . 0.0 110.256 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 643' ' ' LEU . . . . . 0.522 HD21 HD12 ' A' ' 654' ' ' LEU . 91.9 mt -112.66 141.51 46.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.57 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 12.2 m -75.51 154.15 6.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -77.1 159.78 29.54 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -177.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 103.77 -18.19 47.63 Favored Glycine 0 CA--C 1.524 0.624 0 CA-C-N 115.408 -0.814 . . . . 0.0 114.613 179.102 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -115.53 117.25 29.81 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 118.311 1.055 . . . . 0.0 112.314 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 62.4 t -83.85 -37.51 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.845 178.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 49.7 mp0 -58.9 -35.63 73.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.635 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 650' ' ' ARG . . . . . 0.484 HH22 ' HB3' ' B' ' 21' ' ' SER . 40.8 mmt180 -62.59 -38.3 89.57 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.252 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.42 -40.45 85.52 Favored 'General case' 0 C--O 1.227 -0.085 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.064 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.465 ' HA ' HG23 ' A' ' 655' ' ' THR . 3.5 mm? -69.25 -39.4 78.5 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.833 179.185 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -59.17 -39.84 83.75 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.145 0.498 . . . . 0.0 111.248 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 654' ' ' LEU . . . . . 0.613 HD13 HG21 ' A' ' 641' ' ' ILE . 91.2 mt -109.38 29.85 7.16 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.453 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 655' ' ' THR . . . . . 0.465 HG23 ' HA ' ' A' ' 652' ' ' LEU . 0.0 OUTLIER -31.03 102.76 0.2 Allowed Pre-proline 0 N--CA 1.476 0.857 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 -178.446 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 656' ' ' PRO . . . . . 0.647 ' HB3' HG23 ' A' ' 617' ' ' VAL . 43.0 Cg_endo -87.44 173.95 5.26 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.827 3.018 . . . . 0.0 112.786 179.253 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.501 ' O ' ' HA ' ' A' ' 686' ' ' LEU . 45.0 pt -82.28 -20.41 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.406 0.622 . . . . 0.0 109.418 177.501 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -152.31 145.07 24.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.293 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.558 HG23 HD11 ' A' ' 686' ' ' LEU . 65.9 t -116.58 123.51 71.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.211 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.447 ' HB2' HD22 ' A' ' 618' ' ' LEU . 6.2 mp -106.87 116.63 32.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.17 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 661' ' ' LEU . . . . . 0.564 HD23 ' HB ' ' A' ' 619' ' ' VAL . 81.3 mt -105.01 124.08 48.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.844 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 662' ' ' ALA . . . . . 0.613 ' HB3' ' HB3' ' A' ' 620' ' ' SER . . . -121.28 140.44 52.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.071 0.463 . . . . 0.0 111.849 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 663' ' ' GLU . . . . . 0.513 ' HB2' ' HA ' ' A' ' 664' ' ' PRO . 21.0 pt-20 -73.43 161.38 79.32 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.896 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 664' ' ' PRO . . . . . 0.513 ' HA ' ' HB2' ' A' ' 663' ' ' GLU . 97.6 Cg_endo -80.48 159.21 85.78 Favored 'Cis proline' 0 C--N 1.353 0.814 0 C-N-CA 124.494 -1.044 . . . . 0.0 113.827 -0.364 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -113.39 96.76 6.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.858 178.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 50.7 m -98.6 -29.02 13.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 111.138 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -112.23 108.75 18.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.637 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 90.85 158.43 34.67 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.902 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -96.08 121.79 38.22 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.447 -0.205 . . . . 0.0 110.447 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 670' ' ' VAL . . . . . 0.453 HG23 HD13 ' A' ' 661' ' ' LEU . 7.1 p -57.21 -40.79 75.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -179.234 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -65.66 -38.99 90.85 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.981 0.419 . . . . 0.0 110.949 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 672' ' ' GLU . . . . . 0.514 ' HG3' ' OE1' ' A' ' 676' ' ' GLN . 53.6 tp10 -62.73 -39.87 95.41 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.521 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 84.1 mt -60.73 -40.81 93.76 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.829 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 674' ' ' VAL . . . . . 0.69 HG22 HG21 ' A' ' 688' ' ' ILE . 77.6 t -61.19 -44.14 97.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.018 179.199 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 675' ' ' ASP . . . . . 0.425 ' O ' ' HG2' ' A' ' 679' ' ' GLN . 36.1 t70 -60.79 -46.68 89.56 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.791 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 676' ' ' GLN . . . . . 0.514 ' OE1' ' HG3' ' A' ' 672' ' ' GLU . 4.5 mp0 -65.31 -45.59 83.74 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.94 -39.61 95.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.587 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 38.0 ttp-105 -62.68 -38.6 91.01 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.951 0.405 . . . . 0.0 110.938 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 679' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 675' ' ' ASP . 99.4 mm-40 -70.49 -25.87 63.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.854 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 680' ' ' ARG . . . . . 0.457 ' HG3' HD21 ' A' ' 652' ' ' LEU . 5.1 mmp_? -88.23 -43.83 11.3 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 111.525 0.195 . . . . 0.0 111.525 -179.395 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 71.6 m -127.67 142.51 51.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.745 0.307 . . . . 0.0 111.15 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 78.7 p -72.37 153.92 91.97 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.663 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.87 -27.1 84.26 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.469 2.113 . . . . 0.0 113.313 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -74.39 -23.06 58.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.797 0.332 . . . . 0.0 110.81 179.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 20.4 tm0? -97.64 -36.89 10.12 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.028 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 686' ' ' LEU . . . . . 0.558 HD11 HG23 ' A' ' 659' ' ' VAL . 0.4 OUTLIER -137.52 131.87 32.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.998 0.427 . . . . 0.0 110.57 179.793 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -112.3 148.81 33.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.612 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 688' ' ' ILE . . . . . 0.69 HG21 HG22 ' A' ' 674' ' ' VAL . 48.0 mm -108.39 126.0 65.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.582 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -124.9 144.76 50.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.194 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 690' ' ' ILE . . . . . 0.406 HG21 ' HB2' ' A' ' 693' ' ' SER . 91.4 mt -115.95 127.7 73.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.073 0.463 . . . . 0.0 110.476 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 691' ' ' LEU . . . . . 0.736 HD21 HD12 ' A' ' 708' ' ' ILE . 1.2 tt -104.53 121.42 43.44 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.272 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 108.96 -61.0 0.31 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.75 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 693' ' ' SER . . . . . 0.406 ' HB2' HG21 ' A' ' 690' ' ' ILE . 55.0 m -72.82 150.8 42.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.757 0.313 . . . . 0.0 110.739 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -136.43 156.9 47.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.742 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . 130.44 -167.8 21.86 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.092 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -92.5 108.3 19.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.696 0.284 . . . . 0.0 110.603 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -118.97 140.2 50.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.383 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -82.07 135.13 35.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.751 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 82.4 3.65 90.46 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.863 -0.684 . . . . 0.0 113.181 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 62.2 t -110.16 120.68 61.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.902 0.382 . . . . 0.0 110.668 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -69.43 -43.22 73.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.497 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -159.65 151.87 20.88 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.852 0.358 . . . . 0.0 111.667 -178.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -114.56 150.02 35.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.772 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 704' ' ' ILE . . . . . 0.427 ' HB ' ' HG ' ' A' ' 691' ' ' LEU . 21.8 mm -102.78 108.22 57.38 Favored Pre-proline 0 C--O 1.235 0.297 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.724 -179.285 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -63.24 150.89 87.34 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 123.481 2.787 . . . . 0.0 113.18 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 706' ' ' LEU . . . . . 0.524 ' HA ' ' C ' ' A' ' 707' ' ' PRO . 97.6 mt -114.34 155.18 46.1 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.221 179.142 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 707' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 706' ' ' LEU . 31.9 Cg_exo -61.48 147.02 49.56 Favored 'Cis proline' 0 C--N 1.353 0.779 0 C-N-CA 124.47 -1.054 . . . . 0.0 113.24 -0.111 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 708' ' ' ILE . . . . . 0.736 HD12 HD21 ' A' ' 691' ' ' LEU . 13.8 tt -80.23 128.35 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-O 121.327 0.584 . . . . 0.0 111.525 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -116.22 135.99 22.93 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 178.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -51.94 -48.81 19.68 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.744 2.296 . . . . 0.0 113.778 -178.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -64.03 -43.18 96.38 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.05 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 69.1 m -64.54 -46.23 83.72 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.969 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 713' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -60.05 -49.28 78.27 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.346 179.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 62.5 tp -60.78 -44.52 96.68 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.167 -0.469 . . . . 0.0 112.052 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -64.44 -42.72 95.83 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.549 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -67.35 -41.21 85.53 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 717' ' ' VAL . . . . . 0.438 HG11 HD21 ' A' ' 633' ' ' LEU . 9.8 p -72.63 -39.48 61.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.902 -179.434 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 718' ' ' THR . . . . . 0.409 ' O ' HG23 ' A' ' 722' ' ' THR . 92.7 m -61.67 -47.79 83.74 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -62.44 -40.27 96.03 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.55 0.214 . . . . 0.0 111.078 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -63.8 -41.86 98.71 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.463 -0.875 . . . . 0.0 111.92 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 94.4 mt -67.97 -37.86 82.05 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 722' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 718' ' ' THR . 67.6 p -68.54 -15.51 63.56 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 111.768 0.285 . . . . 0.0 111.768 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 64.3 m -84.97 -11.78 54.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.646 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 724' ' ' LEU . . . . . . . . . . . . . 1.4 tt -69.48 -45.22 69.5 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.48 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -172.39 -72.03 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.903 0.382 . . . . 0.0 111.373 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 68.1 p -81.89 161.25 23.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.646 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 98.3 p -148.64 161.51 41.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.557 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -70.85 143.71 50.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.091 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.118 -0.944 . . . . 0.0 110.415 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 78.4 mtm . . . . . 0 N--CA 1.484 1.264 0 CA-C-O 120.675 0.274 . . . . 0.0 110.673 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.12 110.74 63.55 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -59.22 140.88 96.82 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.935 2.423 . . . . 0.0 112.541 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.409 ' C ' ' HD2' ' B' ' 5' ' ' ARG . 4.2 mp -88.55 64.73 7.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.753 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.409 ' HD2' ' C ' ' B' ' 4' ' ' LEU . 2.7 mpt_? -125.78 36.82 4.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.955 -179.322 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -106.16 93.89 4.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.729 0.3 . . . . 0.0 111.777 -179.266 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.41 HG21 ' HB ' ' A' ' 634' ' ' THR . 60.7 p -132.6 160.02 37.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.352 179.211 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.47 145.91 25.26 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 79.4 t -112.7 121.74 65.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.3 0.571 . . . . 0.0 112.241 -178.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.539 HD11 ' HG ' ' B' ' 65' ' ' LEU . 48.8 tp -109.43 125.65 52.64 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.386 178.694 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.421 ' HG2' ' HB2' ' B' ' 43' ' ' LYS . 56.8 mtpt -106.94 148.16 28.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.075 0.464 . . . . 0.0 111.856 -178.495 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.69 118.22 19.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.221 179.254 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 74.6 m-85 -98.17 130.27 44.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.905 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 16.9 m -132.78 164.98 33.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.278 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -131.26 118.39 20.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.729 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.22 -165.13 46.56 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.036 -0.602 . . . . 0.0 113.348 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -120.98 36.8 4.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.959 0.409 . . . . 0.0 110.607 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 58.4 p -72.1 150.78 92.47 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -55.38 -38.96 93.44 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 123.041 2.494 . . . . 0.0 113.188 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -61.7 -41.49 97.68 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.929 0.395 . . . . 0.0 110.437 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.484 ' HB3' HH22 ' A' ' 650' ' ' ARG . 68.2 m -69.96 -39.78 75.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.38 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 63.4 t -65.44 -46.09 91.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.514 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -68.2 -27.87 66.76 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.946 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.61 94.54 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.672 0.272 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 82.4 mt -65.17 -39.52 93.04 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 120.992 0.425 . . . . 0.0 110.822 178.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -64.88 -40.93 95.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.781 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.783 HG23 ' HG3' ' B' ' 83' ' ' ARG . 91.5 m -65.38 -44.94 85.97 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.562 178.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' B' ' 28' ' ' LEU . 0.5 OUTLIER -65.04 -48.49 73.67 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.68 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -40.96 96.42 Favored 'General case' 0 C--O 1.222 -0.361 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -60.79 -46.85 88.88 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -178.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.7 mt -71.13 -42.0 75.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.22 0.533 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.685 HD11 ' HB2' ' B' ' 40' ' ' TYR . 59.3 tp -67.89 -41.22 83.09 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.265 -178.695 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.547 ' O ' ' HB3' ' B' ' 37' ' ' LYS . 13.1 tm-20 -62.09 -37.72 86.15 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -177.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -96.62 -61.41 1.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -178.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -70.23 -38.74 75.27 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 -176.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' PHE . . . . . 0.676 ' HB2' HD12 ' B' ' 32' ' ' LEU . 76.1 m-85 -117.93 39.39 3.39 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -176.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.547 ' HB3' ' O ' ' B' ' 33' ' ' GLU . 9.8 ptmm? -79.14 144.76 34.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.16 0.505 . . . . 0.0 112.249 -179.53 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.458 ' HA2' ' O ' ' A' ' 634' ' ' THR . . . 82.93 0.47 90.28 Favored Glycine 0 C--N 1.333 0.401 0 N-CA-C 114.822 0.689 . . . . 0.0 114.822 178.102 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -125.53 -29.06 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 118.017 0.908 . . . . 0.0 113.219 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' TYR . . . . . 0.685 ' HB2' HD11 ' B' ' 32' ' ' LEU . 99.0 m-85 -127.43 139.63 52.7 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.26 151.04 27.85 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.449 ' HB3' HG12 ' A' ' 641' ' ' ILE . 62.5 tp -114.67 136.48 53.0 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -177.511 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.421 ' HB2' ' HG2' ' B' ' 11' ' ' LYS . 98.2 mttt -122.26 136.32 54.88 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.356 178.385 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 58.7 t -122.17 125.66 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 120.885 0.374 . . . . 0.0 111.796 -179.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.3 mp -125.1 133.89 68.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.091 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -94.04 110.44 22.13 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 34.0 m -65.25 -27.55 42.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -177.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 88.4 mt -66.46 -40.77 89.57 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -71.03 -38.82 72.59 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.754 ' OD1' ' HG ' ' B' ' 53' ' ' LEU . 13.5 t-20 -135.34 86.36 30.37 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.06 -27.67 65.67 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 123.054 2.502 . . . . 0.0 114.547 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.466 ' HG2' ' OD1' ' B' ' 50' ' ' ASN . 16.3 pm0 -68.84 -23.69 64.27 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 120.617 -0.433 . . . . 0.0 112.036 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.754 ' HG ' ' OD1' ' B' ' 50' ' ' ASN . 86.4 mt -64.69 -41.49 95.99 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.691 -0.403 . . . . 0.0 109.988 178.302 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.45 -40.56 93.38 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.521 178.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.66 -36.57 84.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.675 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -64.84 -40.0 94.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.129 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -98.06 12.2 35.12 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 111.825 0.305 . . . . 0.0 111.825 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 68.5 mttm 57.46 45.74 19.2 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.41 HD12 HG21 ' B' ' 64' ' ' THR . 44.7 mm -105.32 116.25 48.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 89.8 mt -113.61 6.47 16.98 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -148.79 160.44 43.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.568 0.223 . . . . 0.0 111.397 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 52.1 p -143.67 147.57 39.61 Favored Pre-proline 0 N--CA 1.464 0.237 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.693 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' PRO . . . . . 0.431 ' HA ' ' O ' ' B' ' 13' ' ' TYR . 96.6 Cg_endo -78.34 144.56 75.51 Favored 'Cis proline' 0 C--N 1.35 0.643 0 C-N-CA 123.44 -1.483 . . . . 0.0 112.592 -1.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' THR . . . . . 0.41 HG21 HD12 ' B' ' 59' ' ' ILE . 93.9 m -128.57 132.42 48.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.929 0.395 . . . . 0.0 110.751 179.151 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.539 ' HG ' HD11 ' B' ' 10' ' ' LEU . 24.5 tp -99.48 120.56 39.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.569 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.81 137.21 52.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.921 0.391 . . . . 0.0 111.999 -178.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -105.29 114.23 28.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.244 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 92.2 t -71.5 -44.5 70.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-O 121.017 0.437 . . . . 0.0 111.247 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.443 ' HB2' ' HA ' ' B' ' 70' ' ' PRO . 0.6 OUTLIER -153.15 158.25 32.85 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.662 -179.236 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 70' ' ' PRO . . . . . 0.464 ' HA ' ' HD3' ' B' ' 71' ' ' PRO . 22.0 Cg_exo -68.31 133.19 22.19 Favored 'Cis proline' 0 C--N 1.354 0.849 0 C-N-CA 124.253 -1.145 . . . . 0.0 113.079 -0.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 71' ' ' PRO . . . . . 0.492 ' HA ' ' C ' ' B' ' 72' ' ' PRO . 20.4 Cg_exo -68.1 163.2 36.87 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.904 2.403 . . . . 0.0 111.721 178.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 72' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' B' ' 71' ' ' PRO . 31.7 Cg_exo -61.67 150.26 57.51 Favored 'Cis proline' 0 C--N 1.356 0.929 0 C-N-CA 124.98 -0.842 . . . . 0.0 113.674 0.405 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 27.2 m -69.49 144.9 13.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.603 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -132.19 152.28 51.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.403 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 35.2 ptt-85 -129.75 144.02 51.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.024 0.44 . . . . 0.0 111.16 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 80.8 mt -122.32 124.81 71.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.159 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 82.3 mt -116.37 125.21 73.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 169.8 -157.76 29.53 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.327 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -84.01 103.77 13.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.753 0.311 . . . . 0.0 110.472 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -83.33 -4.1 58.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.345 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 66.1 m -89.3 -2.25 58.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.977 0.418 . . . . 0.0 110.91 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -99.87 113.59 26.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.905 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' ARG . . . . . 0.783 ' HG3' HG23 ' B' ' 27' ' ' THR . 0.9 OUTLIER -61.16 -36.92 81.09 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.668 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -59.89 -48.92 79.72 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.453 -0.499 . . . . 0.0 111.118 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -63.45 -43.27 97.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 71.2 t -61.69 -47.59 92.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.958 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.472 ' O ' ' HG2' ' B' ' 91' ' ' ARG . 62.3 tp -63.12 -46.28 88.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.821 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 77.2 mt -61.14 -47.26 94.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.408 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.25 95.82 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.983 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 6.2 mp -67.42 -35.17 78.72 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' B' ' 87' ' ' LEU . 27.5 mmt85 -62.44 -38.73 90.9 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.623 0.249 . . . . 0.0 110.661 179.355 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.11 -40.61 98.14 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.958 0.409 . . . . 0.0 110.229 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.626 ' O ' ' HG2' ' B' ' 96' ' ' GLU . 7.9 mp -68.45 -38.81 81.45 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.546 179.126 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.623 ' O ' HG22 ' B' ' 97' ' ' ILE . . . -62.69 -39.93 95.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.599 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -63.06 -42.27 99.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.071 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 96' ' ' GLU . . . . . 0.626 ' HG2' ' O ' ' B' ' 93' ' ' LEU . 11.1 pt-20 -69.65 -22.04 63.49 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.446 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.623 HG22 ' O ' ' B' ' 94' ' ' ALA . 12.3 tt -83.94 -14.47 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 O-C-N 122.097 -0.377 . . . . 0.0 110.944 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -60.79 -37.52 93.75 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 114.523 0.569 . . . . 0.0 114.523 -178.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -88.75 5.48 43.22 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 117.587 0.694 . . . . 0.0 112.314 -178.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -111.31 125.36 53.75 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 121.194 -0.202 . . . . 0.0 110.776 179.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 64.3 mttp 54.85 41.53 31.83 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.762 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -89.13 103.75 16.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.58 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -90.72 102.0 14.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.534 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -90.78 103.81 16.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.625 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -156.46 160.19 39.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.318 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.776 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.955 0.407 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . -161.42 171.86 37.51 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.138 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 615' ' ' ARG . . . . . 0.425 ' O ' HG12 ' A' ' 657' ' ' ILE . 89.8 mtm180 -92.45 130.0 38.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.94 0.4 . . . . 0.0 111.49 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.508 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 93.8 mt -128.37 129.43 69.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.157 179.322 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 617' ' ' VAL . . . . . 0.499 HG22 ' HB ' ' A' ' 641' ' ' ILE . 98.9 t -109.67 126.13 66.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.178 0.513 . . . . 0.0 110.354 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.533 HD21 ' HA ' ' A' ' 626' ' ' SER . 60.3 tp -108.39 123.5 48.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.735 -179.42 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 619' ' ' VAL . . . . . 0.405 ' HB ' HD23 ' A' ' 661' ' ' LEU . 58.8 t -112.1 109.63 29.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.875 179.175 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 45.0 t -158.35 146.66 18.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.125 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -90.82 -10.25 43.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.499 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -90.86 107.99 19.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.308 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -64.57 -33.31 75.62 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -63.07 -47.57 82.36 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.729 0.3 . . . . 0.0 111.729 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 625' ' ' THR . . . . . 0.404 ' O ' HG12 ' A' ' 629' ' ' ILE . 94.5 m -70.29 -42.08 72.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 626' ' ' SER . . . . . 0.533 ' HA ' HD21 ' A' ' 618' ' ' LEU . 66.1 m -62.02 -43.21 99.33 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.008 -178.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 87.4 m -64.82 -43.1 94.22 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.837 0.351 . . . . 0.0 110.325 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 64.4 tp -62.48 -48.1 81.07 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 629' ' ' ILE . . . . . 0.568 HD11 HD11 ' A' ' 708' ' ' ILE . 39.4 mm -63.53 -42.69 97.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.2 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 52.5 t -59.74 -48.59 81.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.638 -178.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 87.6 p -62.91 -36.43 83.33 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.11 -47.1 94.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-O 120.764 0.316 . . . . 0.0 111.745 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 633' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -84.78 -38.8 19.17 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 -178.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 634' ' ' THR . . . . . 0.631 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 93.9 m -61.75 -46.57 89.04 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 635' ' ' THR . . . . . 0.879 HG21 ' HA ' ' B' ' 4' ' ' LEU . 0.2 OUTLIER -73.63 -15.42 61.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.844 0.354 . . . . 0.0 111.732 -178.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -83.74 3.97 30.91 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.081 0.401 . . . . 0.0 112.081 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 103.08 0.9 48.21 Favored Glycine 0 C--N 1.333 0.394 0 C-N-CA 120.792 -0.718 . . . . 0.0 113.514 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 638' ' ' TYR . . . . . 0.631 ' O ' ' HA ' ' A' ' 634' ' ' THR . 86.3 m-85 -100.58 150.28 22.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.713 0.292 . . . . 0.0 110.466 179.555 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -101.35 110.81 22.87 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 640' ' ' VAL . . . . . 0.508 ' HA ' ' O ' ' A' ' 616' ' ' ILE . 59.6 t -101.3 129.27 52.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -178.365 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 641' ' ' ILE . . . . . 0.677 HD13 HD13 ' A' ' 654' ' ' LEU . 82.0 mt -116.15 123.23 71.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 115.342 -0.845 . . . . 0.0 108.809 177.4 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 642' ' ' TRP . . . . . 0.417 ' O ' ' HA ' ' B' ' 43' ' ' LYS . 12.3 t90 -94.25 115.62 27.9 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.555 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 643' ' ' LEU . . . . . 0.612 HD11 ' HB3' ' A' ' 650' ' ' ARG . 0.2 OUTLIER -118.49 148.53 42.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.038 -178.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 16.0 m -79.92 154.04 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.166 0.508 . . . . 0.0 111.091 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -68.63 140.79 55.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.73 -178.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 102.46 -3.6 50.44 Favored Glycine 0 C--N 1.335 0.525 0 N-CA-C 114.996 0.759 . . . . 0.0 114.996 178.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 647' ' ' GLU . . . . . 0.487 ' HB3' ' HD3' ' A' ' 650' ' ' ARG . 77.5 mm-40 -113.77 87.4 2.61 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 118.12 0.96 . . . . 0.0 112.873 -179.284 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 79.4 t -71.77 -41.07 70.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.156 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 49.2 mp0 -59.26 -39.17 82.03 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.697 0.284 . . . . 0.0 110.419 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 650' ' ' ARG . . . . . 0.612 ' HB3' HD11 ' A' ' 643' ' ' LEU . 2.2 mpt_? -63.88 -37.85 88.93 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.479 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 651' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 647' ' ' GLU . 95.3 mt -65.76 -40.35 91.97 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.22 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.524 ' HA ' HG23 ' A' ' 655' ' ' THR . 90.7 mt -64.99 -39.98 94.28 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.967 179.507 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -60.08 -38.85 84.11 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.258 0.552 . . . . 0.0 111.295 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 654' ' ' LEU . . . . . 0.677 HD13 HD13 ' A' ' 641' ' ' ILE . 80.2 mt -108.24 29.71 7.08 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.58 -179.344 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 655' ' ' THR . . . . . 0.524 HG23 ' HA ' ' A' ' 652' ' ' LEU . 0.0 OUTLIER -36.79 103.65 0.26 Allowed Pre-proline 0 N--CA 1.473 0.718 0 O-C-N 124.15 0.906 . . . . 0.0 113.322 -178.926 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 656' ' ' PRO . . . . . 0.487 ' HB3' HG23 ' A' ' 617' ' ' VAL . 41.6 Cg_endo -87.23 -178.03 2.33 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 123.583 2.855 . . . . 0.0 112.569 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 615' ' ' ARG . 50.3 pt -81.72 -26.95 9.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 177.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -148.97 147.48 28.64 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.407 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.417 HG23 HD21 ' A' ' 686' ' ' LEU . 79.9 t -117.93 127.56 75.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.677 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.756 HD23 ' HB2' ' A' ' 689' ' ' PHE . 85.3 mt -104.02 121.2 42.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.257 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 661' ' ' LEU . . . . . 0.405 HD23 ' HB ' ' A' ' 619' ' ' VAL . 84.3 mt -111.76 127.26 55.74 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -135.9 150.83 49.48 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.001 0.429 . . . . 0.0 111.836 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 663' ' ' GLU . . . . . 0.505 ' OE1' ' HA ' ' A' ' 664' ' ' PRO . 71.0 mm-40 -69.2 158.54 86.36 Favored Pre-proline 0 N--CA 1.466 0.33 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.176 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 664' ' ' PRO . . . . . 0.505 ' HA ' ' OE1' ' A' ' 663' ' ' GLU . 44.7 Cg_endo -89.98 158.7 33.59 Favored 'Cis proline' 0 C--N 1.353 0.8 0 C-N-CA 124.381 -1.091 . . . . 0.0 114.063 -0.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -116.13 86.26 2.45 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.122 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 93.7 p -99.96 -16.59 17.9 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -98.13 1.9 48.0 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 179.83 172.68 44.12 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.143 -1.027 . . . . 0.0 112.846 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 669' ' ' ASP . . . . . 0.729 ' O ' ' HG2' ' A' ' 672' ' ' GLU . 51.2 t0 -95.64 119.13 33.6 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 670' ' ' VAL . . . . . 0.4 ' HA ' HD12 ' A' ' 673' ' ' LEU . 10.6 p -60.54 -30.54 46.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.458 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -64.38 -39.91 94.79 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.766 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 672' ' ' GLU . . . . . 0.729 ' HG2' ' O ' ' A' ' 669' ' ' ASP . 15.4 pt-20 -71.44 -29.33 64.74 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.237 -179.337 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 673' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 670' ' ' VAL . 87.6 mt -63.97 -42.36 97.26 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.899 0.381 . . . . 0.0 110.828 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 674' ' ' VAL . . . . . 0.462 HG22 HG21 ' A' ' 688' ' ' ILE . 77.1 t -62.22 -47.16 94.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.631 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 675' ' ' ASP . . . . . 0.506 ' O ' ' HG2' ' A' ' 678' ' ' ARG . 37.8 t70 -62.26 -43.72 98.18 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.981 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -66.53 -41.53 88.58 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 86.5 mt -65.64 -39.76 91.76 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -178.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 678' ' ' ARG . . . . . 0.506 ' HG2' ' O ' ' A' ' 675' ' ' ASP . 9.2 ptm180 -66.61 -18.42 65.36 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.19 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -90.6 -5.99 55.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.62 0.248 . . . . 0.0 111.229 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -106.94 -38.25 6.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.352 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 72.3 m -127.82 149.05 50.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.812 0.339 . . . . 0.0 111.323 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 72.6 p -76.28 159.47 79.97 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.266 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -54.57 -40.24 84.77 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.691 2.26 . . . . 0.0 113.611 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 23.2 pm0 -74.48 -30.36 61.81 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.718 0.294 . . . . 0.0 111.023 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -72.56 -38.41 67.96 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.308 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 686' ' ' LEU . . . . . 0.423 HD12 ' O ' ' A' ' 656' ' ' PRO . 6.7 tt -151.5 132.63 14.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.443 -179.268 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -113.61 145.81 40.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.433 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 688' ' ' ILE . . . . . 0.462 HG21 HG22 ' A' ' 674' ' ' VAL . 80.9 mt -109.04 125.78 66.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.799 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 689' ' ' PHE . . . . . 0.756 ' HB2' HD23 ' A' ' 660' ' ' LEU . 99.1 m-85 -119.09 141.23 48.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.789 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 82.6 mt -119.4 128.17 75.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.022 0.439 . . . . 0.0 111.277 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 691' ' ' LEU . . . . . 0.647 HD11 ' HE1' ' A' ' 713' ' ' PHE . 6.1 mp -99.25 131.08 45.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.87 179.305 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 692' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 705' ' ' PRO . . . 118.42 -75.09 0.29 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.87 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 86.1 p -138.17 163.05 32.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.618 0.247 . . . . 0.0 110.949 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -76.79 123.13 25.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.651 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 695' ' ' GLY . . . . . 0.41 ' O ' ' HD1' ' A' ' 697' ' ' TYR . . . -72.87 -21.94 79.43 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.991 -0.624 . . . . 0.0 113.133 179.699 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 55.0 t30 58.55 39.52 24.73 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.217 0.532 . . . . 0.0 111.282 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 697' ' ' TYR . . . . . 0.41 ' HD1' ' O ' ' A' ' 695' ' ' GLY . 7.3 m-85 -125.4 155.55 40.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.872 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -70.58 148.65 47.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.346 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 96.01 -9.07 67.95 Favored Glycine 0 CA--C 1.517 0.186 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.772 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 59.0 t -93.65 110.17 22.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -69.16 -42.88 75.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.401 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -158.9 151.42 21.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.739 0.304 . . . . 0.0 111.104 -178.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -117.94 145.86 44.39 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 178.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 704' ' ' ILE . . . . . 0.423 HG22 ' CG2' ' A' ' 708' ' ' ILE . 4.5 mp -119.31 97.2 50.3 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-O 120.522 0.201 . . . . 0.0 110.961 -179.016 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 705' ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' A' ' 692' ' ' GLY . 32.2 Cg_exo -61.51 144.22 97.74 Favored 'Trans proline' 0 N--CA 1.478 0.612 0 C-N-CA 123.482 2.788 . . . . 0.0 113.678 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 706' ' ' LEU . . . . . 0.899 HD23 HG23 ' A' ' 708' ' ' ILE . 80.8 mt -97.17 152.28 38.19 Favored Pre-proline 0 N--CA 1.466 0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.509 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 707' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -73.97 151.09 96.57 Favored 'Cis proline' 0 C--N 1.353 0.788 0 C-N-CA 123.979 -1.259 . . . . 0.0 112.721 -0.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 708' ' ' ILE . . . . . 0.899 HG23 HD23 ' A' ' 706' ' ' LEU . 39.2 pt -109.06 157.88 9.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.21 0.529 . . . . 0.0 111.93 -179.603 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -111.68 146.05 33.92 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 177.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -52.55 -50.95 12.28 Favored 'Trans proline' 0 N--CA 1.476 0.463 0 C-N-CA 122.42 2.08 . . . . 0.0 113.75 -178.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -66.28 -40.9 90.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.96 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 69.0 m -63.8 -46.59 84.51 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.574 -179.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 713' ' ' PHE . . . . . 0.647 ' HE1' HD11 ' A' ' 691' ' ' LEU . 87.6 t80 -60.29 -49.33 78.02 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.195 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 63.3 tp -60.98 -45.15 95.95 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -178.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -64.28 -41.8 96.72 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.32 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -65.7 -42.05 91.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.661 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 717' ' ' VAL . . . . . . . . . . . . . 53.6 t -65.01 -44.06 96.02 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.578 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 90.6 m -60.08 -44.32 94.84 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.835 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 17.7 tmm? -60.23 -45.83 91.88 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.68 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -63.76 -38.82 96.74 Favored Glycine 0 CA--C 1.523 0.556 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.629 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 7.3 mp -75.47 -0.3 19.67 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -178.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 62.7 p -64.89 -24.44 67.53 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.226 0.466 . . . . 0.0 111.795 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 62.3 m -91.99 2.77 56.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 0.0 110.932 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 724' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 724' ' ' LEU . 0.3 OUTLIER -99.37 171.37 8.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.248 -179.504 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -103.51 150.13 24.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.698 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 67.7 p -116.3 161.06 19.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.804 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 58.1 m -87.88 -7.69 56.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.385 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -149.7 154.27 38.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.481 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.533 -0.746 . . . . 0.0 111.343 179.965 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 121.098 0.475 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.83 149.6 73.38 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.541 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -56.96 -39.06 94.21 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.791 2.327 . . . . 0.0 112.596 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.879 ' HA ' HG21 ' A' ' 635' ' ' THR . 24.3 mt -137.46 156.26 48.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.381 179.523 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 72.13 -170.87 0.14 Allowed 'General case' 0 N--CA 1.47 0.526 0 O-C-N 123.946 0.779 . . . . 0.0 110.776 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.11 42.32 22.52 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.574 179.118 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 71.2 p -80.7 158.35 25.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.734 0.302 . . . . 0.0 110.806 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -101.9 145.58 29.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.286 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 60.6 t -113.82 119.54 61.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.02 0.438 . . . . 0.0 111.209 -179.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.583 HD11 ' HB2' ' B' ' 65' ' ' LEU . 62.2 tp -109.43 125.58 52.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.596 179.164 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.485 ' O ' ' HA ' ' B' ' 65' ' ' LEU . 99.3 mttt -101.92 144.74 30.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.002 0.43 . . . . 0.0 111.155 -179.174 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.88 119.56 25.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.069 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' TYR . . . . . 0.524 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 95.9 m-85 -100.84 131.5 46.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.007 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.496 HG12 ' HB3' ' B' ' 63' ' ' PRO . 15.4 m -132.13 162.58 39.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -131.52 95.92 3.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.724 -178.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.44 154.29 30.84 Favored Glycine 0 N--CA 1.453 -0.186 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.914 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -89.17 76.48 7.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.217 0.532 . . . . 0.0 110.642 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 71.9 p -105.97 154.56 39.4 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.059 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -53.93 -39.88 83.05 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.844 2.363 . . . . 0.0 113.793 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -67.63 -35.48 79.0 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.656 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 67.4 m -71.87 -40.8 68.69 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.224 0.535 . . . . 0.0 109.937 178.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.53 -46.68 91.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.326 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -70.48 -27.6 64.34 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.999 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.97 -44.55 94.38 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.51 0.195 . . . . 0.0 110.99 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.637 ' HB3' HD21 ' A' ' 654' ' ' LEU . 72.7 mt -64.75 -41.42 95.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.093 178.447 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.98 -41.73 97.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 85.5 m -69.22 -44.54 71.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.809 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 tt -65.93 -41.66 91.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.789 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.04 -40.27 92.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.266 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -61.43 -45.22 95.23 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.791 0.329 . . . . 0.0 110.901 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.507 ' CD1' HG13 ' B' ' 86' ' ' VAL . 95.3 mt -67.01 -43.2 89.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-O 121.354 0.597 . . . . 0.0 110.321 179.088 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.654 HD12 ' HB2' ' B' ' 36' ' ' PHE . 62.4 tp -63.14 -45.77 90.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.799 -178.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.402 ' O ' ' HB3' ' B' ' 37' ' ' LYS . 23.0 pt-20 -71.04 -14.94 62.5 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -179.101 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.71 -56.1 2.69 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -178.463 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -94.91 -25.36 16.59 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -177.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' PHE . . . . . 0.654 ' HB2' HD12 ' B' ' 32' ' ' LEU . 96.2 m-85 -117.89 30.28 7.35 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -178.089 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.402 ' HB3' ' O ' ' B' ' 33' ' ' GLU . 8.5 ptmm? -68.83 122.24 18.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.063 0.459 . . . . 0.0 112.079 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.512 ' HA2' ' O ' ' A' ' 634' ' ' THR . . . 91.38 -11.89 70.84 Favored Glycine 0 CA--C 1.521 0.428 0 CA-C-N 115.852 -0.613 . . . . 0.0 114.447 178.268 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.666 HG13 ' HD1' ' B' ' 40' ' ' TYR . 10.0 p -108.27 -31.55 2.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 117.615 0.707 . . . . 0.0 112.288 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' TYR . . . . . 0.666 ' HD1' HG13 ' B' ' 39' ' ' VAL . 26.4 m-85 -123.74 140.42 53.0 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.278 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.67 153.9 28.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.213 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.413 ' HB3' HG12 ' A' ' 641' ' ' ILE . 65.2 tp -113.16 136.09 53.11 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -178.009 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 642' ' ' TRP . 1.0 OUTLIER -123.05 131.75 53.83 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 178.661 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 61.0 t -112.98 122.02 66.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -178.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 82.3 mt -123.24 130.97 74.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.4 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -98.27 112.36 24.38 Favored 'General case' 0 N--CA 1.463 0.176 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 34.6 m -66.25 -30.4 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -177.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.58 -38.41 84.02 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 29.6 tptp -69.75 -39.77 76.55 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.804 0.335 . . . . 0.0 111.009 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.485 ' OD1' ' HG3' ' B' ' 52' ' ' GLN . 41.3 t-20 -133.46 84.92 44.78 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.434 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.85 -19.07 64.06 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 123.207 2.604 . . . . 0.0 113.77 -178.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.485 ' HG3' ' OD1' ' B' ' 50' ' ' ASN . 4.5 mt-30 -64.8 -36.87 85.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.095 0.474 . . . . 0.0 110.036 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 86.3 mt -64.78 -41.19 96.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.984 -179.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.06 -40.49 96.38 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.663 179.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.17 -37.4 85.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.134 179.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -70.07 -38.73 75.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.086 -178.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -98.61 7.84 45.63 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt 55.8 50.6 13.81 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 37.2 mm -87.53 105.56 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.762 0.315 . . . . 0.0 110.178 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 90.0 mt -105.37 -5.77 20.16 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -148.04 145.21 28.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.775 0.321 . . . . 0.0 111.612 -179.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 66.3 p -142.3 150.28 54.56 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.397 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' PRO . . . . . 0.524 ' HA ' ' O ' ' B' ' 13' ' ' TYR . 94.7 Cg_endo -77.69 154.61 95.0 Favored 'Cis proline' 0 C--N 1.347 0.475 0 C-N-CA 123.595 -1.419 . . . . 0.0 112.803 -1.402 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 15.0 t -149.02 148.9 30.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.284 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.641 HD11 HD12 ' B' ' 76' ' ' ILE . 0.5 OUTLIER -109.87 132.38 54.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.091 0.472 . . . . 0.0 110.248 179.365 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.59 137.57 54.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.142 -178.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -100.43 120.71 40.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.386 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.534 HG12 ' HG ' ' B' ' 69' ' ' LEU . 48.5 t -110.02 -59.19 3.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.361 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.534 ' HG ' HG12 ' B' ' 68' ' ' VAL . 90.2 mt -130.23 137.79 31.63 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.288 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' B' ' 71' ' ' PRO . 96.1 Cg_endo -81.25 156.63 82.91 Favored 'Cis proline' 0 CA--C 1.534 0.484 0 C-N-CA 123.398 -1.501 . . . . 0.0 112.055 -1.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 71' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' B' ' 70' ' ' PRO . 23.5 Cg_exo -65.6 165.25 23.54 Favored 'Trans proline' 0 N--CA 1.476 0.479 0 C-N-CA 123.04 2.493 . . . . 0.0 112.191 178.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.33 160.26 96.51 Favored 'Cis proline' 0 C--N 1.354 0.83 0 C-N-CA 124.412 -1.078 . . . . 0.0 114.266 1.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 29.4 m -79.36 150.99 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.913 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.17 145.62 18.16 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.86 -179.332 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -128.8 139.77 52.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 0.0 111.392 179.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' ILE . . . . . 0.641 HD12 HD11 ' B' ' 65' ' ' LEU . 86.3 mt -122.45 125.44 72.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.111 178.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 81.9 mt -116.28 126.12 73.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -179.96 -173.92 45.37 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.245 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -85.54 107.07 17.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.769 0.319 . . . . 0.0 110.391 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 94.0 mt -83.12 -9.15 59.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.607 -179.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 66.4 m -64.39 -33.08 75.03 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.969 0.414 . . . . 0.0 110.745 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.403 ' O ' HG12 ' B' ' 86' ' ' VAL . 56.2 t-20 -86.71 113.2 22.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.022 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 83' ' ' ARG . . . . . 0.49 ' HA ' HG12 ' B' ' 86' ' ' VAL . 61.6 ttp180 -59.85 -37.04 78.15 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.477 -179.27 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.23 -46.63 87.97 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 111.579 0.215 . . . . 0.0 111.579 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -71.89 -44.24 64.05 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.507 HG13 ' CD1' ' B' ' 31' ' ' ILE . 7.2 p -64.2 -32.57 57.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.332 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.401 ' HA ' HD13 ' B' ' 31' ' ' ILE . 65.4 tp -62.17 -45.8 91.8 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 177.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 86.5 mt -62.91 -47.04 94.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.529 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' ALA . . . . . 0.415 ' O ' ' HG ' ' B' ' 92' ' ' LEU . . . -62.38 -41.62 98.79 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -179.001 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 5.2 mp -76.41 -34.86 58.82 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 49.2 tpt85 -61.68 -40.82 96.32 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -178.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' B' ' 89' ' ' ALA . 3.1 pp -64.54 -17.86 64.31 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.22 -36.06 82.41 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.627 0.251 . . . . 0.0 110.883 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.496 ' HB2' ' CE2' ' B' ' 36' ' ' PHE . . . -60.02 -41.14 91.54 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.622 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -64.95 -41.55 95.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.566 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 96' ' ' GLU . . . . . 0.555 ' HA ' ' O ' ' B' ' 100' ' ' TYR . 99.4 mt-10 -64.51 -40.24 95.28 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.6 -179.654 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 10.5 tp -79.53 -35.24 16.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.241 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -65.2 -38.46 95.22 Favored Glycine 0 C--N 1.335 0.524 0 C-N-CA 121.324 -0.465 . . . . 0.0 112.2 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -125.09 -79.54 0.61 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.617 0.246 . . . . 0.0 110.339 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 100' ' ' TYR . . . . . 0.555 ' O ' ' HA ' ' B' ' 96' ' ' GLU . 1.7 t80 -174.91 -167.71 0.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.718 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -135.72 159.01 42.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.5 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 31.3 t0 56.87 47.32 18.08 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 123.562 0.539 . . . . 0.0 111.361 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.63 -40.39 96.75 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.331 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 4.4 t0 69.83 -177.22 0.21 Allowed 'General case' 0 N--CA 1.47 0.532 0 O-C-N 123.784 0.677 . . . . 0.0 111.282 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -89.17 102.5 15.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.568 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.119 -0.943 . . . . 0.0 110.738 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 120.977 0.418 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . -128.17 34.02 3.04 Favored Glycine 0 N--CA 1.454 -0.152 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.619 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 615' ' ' ARG . . . . . 0.53 ' HA ' ' O ' ' A' ' 639' ' ' GLN . 89.8 mtm180 -88.53 128.15 35.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 111.54 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.532 ' HB ' HG22 ' A' ' 640' ' ' VAL . 87.5 mt -127.56 131.76 69.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.595 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 617' ' ' VAL . . . . . 0.565 HG23 ' HB3' ' A' ' 656' ' ' PRO . 84.7 t -121.73 129.51 75.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-O 121.194 0.521 . . . . 0.0 111.753 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 660' ' ' LEU . 53.5 tp -106.68 126.09 51.84 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.627 178.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -107.25 108.91 26.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.364 0.602 . . . . 0.0 111.484 -179.731 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 8.6 t -166.3 179.87 5.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.186 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -120.59 1.22 10.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.779 0.323 . . . . 0.0 110.735 178.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -87.27 110.14 19.99 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.023 0.439 . . . . 0.0 110.968 -179.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 50.8 mp0 -63.31 -35.95 82.08 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.439 -179.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -59.72 -41.56 91.14 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.882 0.326 . . . . 0.0 111.882 -178.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.96 -38.72 64.13 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.59 0.219 . . . . 0.0 111.59 179.272 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 626' ' ' SER . . . . . 0.417 ' HB3' ' CZ3' ' A' ' 642' ' ' TRP . 89.5 p -62.5 -39.83 94.78 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.569 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 86.2 m -66.79 -44.29 81.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.826 0.346 . . . . 0.0 111.117 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 5.2 mp -72.64 -50.83 22.54 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 629' ' ' ILE . . . . . . . . . . . . . 36.9 mm -61.19 -46.16 97.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -177.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 630' ' ' CYS . . . . . 0.446 ' SG ' ' HB1' ' B' ' 41' ' ' ALA . 18.3 t -65.31 -44.72 86.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.661 -179.034 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 631' ' ' SER . . . . . 0.503 ' O ' HG22 ' A' ' 635' ' ' THR . 69.5 m -62.7 -42.35 99.6 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 121.131 -0.228 . . . . 0.0 111.357 -179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 86.9 mt -61.63 -47.32 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 O-C-N 123.225 0.328 . . . . 0.0 111.816 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 633' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.64 -39.52 62.04 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -179.577 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 634' ' ' THR . . . . . 0.664 ' HB ' HG21 ' B' ' 7' ' ' THR . 89.2 m -64.3 -44.25 92.22 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 635' ' ' THR . . . . . 0.503 HG22 ' O ' ' A' ' 631' ' ' SER . 13.2 t -69.7 -13.34 62.25 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.798 0.332 . . . . 0.0 111.577 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -85.16 -2.03 57.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.176 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 104.62 5.98 41.49 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.957 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 638' ' ' TYR . . . . . 0.606 ' O ' ' HA ' ' A' ' 634' ' ' THR . 96.3 m-85 -100.6 151.76 21.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.759 0.314 . . . . 0.0 110.672 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 639' ' ' GLN . . . . . 0.53 ' O ' ' HA ' ' A' ' 615' ' ' ARG . 2.9 tm0? -102.64 108.76 20.14 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.238 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 640' ' ' VAL . . . . . 0.532 HG22 ' HB ' ' A' ' 616' ' ' ILE . 59.8 t -109.39 128.69 65.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.168 0.509 . . . . 0.0 112.108 -178.357 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 641' ' ' ILE . . . . . 0.664 HG21 HD13 ' A' ' 654' ' ' LEU . 86.6 mt -115.61 129.36 72.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.22 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 642' ' ' TRP . . . . . 0.417 ' CZ3' ' HB3' ' A' ' 626' ' ' SER . 68.6 t-105 -91.44 114.68 27.28 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.01 0.433 . . . . 0.0 110.996 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 643' ' ' LEU . . . . . 0.604 HD21 HD12 ' A' ' 654' ' ' LEU . 85.5 mt -114.04 140.56 48.35 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.803 178.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 8.1 m -74.68 137.6 22.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -64.31 155.78 31.11 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -177.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 103.25 -14.75 54.9 Favored Glycine 0 C--N 1.334 0.441 0 CA-C-N 115.378 -0.828 . . . . 0.0 114.024 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 647' ' ' GLU . . . . . 0.474 ' HB3' ' HE ' ' A' ' 650' ' ' ARG . 78.9 mm-40 -114.59 101.18 8.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 117.908 0.854 . . . . 0.0 112.735 -179.661 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 86.6 t -71.31 -40.39 73.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.592 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.79 -38.01 80.72 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 650' ' ' ARG . . . . . 0.474 ' HE ' ' HB3' ' A' ' 647' ' ' GLU . 0.1 OUTLIER -63.2 -37.29 86.66 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 177.434 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 96.3 mt -65.45 -39.74 92.41 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.688 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.554 ' HA ' HG23 ' A' ' 655' ' ' THR . 3.2 mm? -67.94 -37.05 81.14 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.695 179.271 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 653' ' ' ALA . . . . . 0.431 ' HB2' HG13 ' B' ' 22' ' ' VAL . . . -59.0 -40.52 85.13 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.251 0.548 . . . . 0.0 111.077 179.032 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 654' ' ' LEU . . . . . 0.664 HD13 HG21 ' A' ' 641' ' ' ILE . 86.8 mt -109.95 29.75 7.34 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.657 -179.415 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 655' ' ' THR . . . . . 0.554 HG23 ' HA ' ' A' ' 652' ' ' LEU . 0.3 OUTLIER -29.69 103.14 0.18 Allowed Pre-proline 0 N--CA 1.479 1.005 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -178.649 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 656' ' ' PRO . . . . . 0.565 ' HB3' HG23 ' A' ' 617' ' ' VAL . 57.7 Cg_endo -84.52 171.12 10.04 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.455 2.77 . . . . 0.0 112.449 179.185 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.434 ' O ' HD21 ' A' ' 724' ' ' LEU . 48.5 pt -80.3 -25.31 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.438 0.637 . . . . 0.0 109.624 178.154 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -149.64 150.03 31.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.283 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.663 HG13 HD11 ' A' ' 686' ' ' LEU . 16.6 m -119.09 143.07 31.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.013 0.435 . . . . 0.0 110.808 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.671 HD23 ' HB2' ' A' ' 689' ' ' PHE . 79.3 mt -117.5 125.54 51.05 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.288 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 1.3 mp -115.73 124.9 51.99 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -105.06 128.39 53.31 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -90.89 155.54 45.13 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.101 178.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 664' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -75.87 158.23 98.11 Favored 'Cis proline' 0 C--N 1.351 0.658 0 C-N-CA 124.204 -1.165 . . . . 0.0 113.188 -0.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 665' ' ' PHE . . . . . 0.505 ' HB3' HG13 ' A' ' 670' ' ' VAL . 2.8 p90 -95.8 79.97 3.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.975 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 79.1 p -65.01 -36.63 85.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.471 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -126.12 115.59 20.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.108 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 90.6 148.4 20.65 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 121.025 -0.607 . . . . 0.0 111.949 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -96.86 119.2 34.89 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.414 -0.462 . . . . 0.0 110.294 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 670' ' ' VAL . . . . . 0.505 HG13 ' HB3' ' A' ' 665' ' ' PHE . 33.7 m -63.09 -33.99 64.05 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 C-N-CA 121.071 -0.251 . . . . 0.0 110.764 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -64.8 -39.42 93.56 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -62.32 -45.42 93.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.213 178.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.6 -41.41 98.33 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.914 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 674' ' ' VAL . . . . . 0.741 HG13 HD13 ' A' ' 688' ' ' ILE . 54.2 t -61.17 -47.82 91.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.846 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -63.13 -43.61 97.91 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.593 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -64.6 -40.28 95.22 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.322 -0.399 . . . . 0.0 112.019 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 86.1 mt -63.98 -38.8 92.4 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.832 -0.167 . . . . 0.0 111.143 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -61.78 -38.21 87.2 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.893 0.377 . . . . 0.0 111.195 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -65.53 -37.26 86.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.858 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -88.01 -40.04 14.19 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -177.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 74.7 m -126.37 143.88 51.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.902 0.382 . . . . 0.0 112.018 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 69.5 p -76.61 155.73 83.32 Favored Pre-proline 0 CA--C 1.535 0.404 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.557 179.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.98 -27.42 84.75 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 122.501 2.134 . . . . 0.0 113.508 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -74.15 -18.57 60.76 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.789 0.328 . . . . 0.0 110.733 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -101.5 -35.58 9.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.284 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 686' ' ' LEU . . . . . 0.663 HD11 HG13 ' A' ' 659' ' ' VAL . 57.3 tp -135.81 127.56 29.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.957 0.408 . . . . 0.0 111.342 -179.341 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -107.75 149.09 28.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.453 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 688' ' ' ILE . . . . . 0.741 HD13 HG13 ' A' ' 674' ' ' VAL . 72.5 mt -112.74 128.98 69.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.015 -177.528 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 689' ' ' PHE . . . . . 0.671 ' HB2' HD23 ' A' ' 660' ' ' LEU . 94.9 m-85 -127.56 143.38 51.18 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.928 178.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 690' ' ' ILE . . . . . 0.478 HD12 HG21 ' A' ' 700' ' ' VAL . 95.0 mt -121.5 130.98 74.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-O 121.082 0.467 . . . . 0.0 112.077 -179.464 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 691' ' ' LEU . . . . . 0.573 HD11 ' HE1' ' A' ' 713' ' ' PHE . 3.3 mp -102.47 127.8 49.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.66 178.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 134.24 -65.89 0.57 Allowed Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.521 -0.847 . . . . 0.0 113.023 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 5.4 t -137.12 -169.2 2.44 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -145.09 149.14 34.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.072 0.463 . . . . 0.0 111.959 -179.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . 81.13 -0.07 88.06 Favored Glycine 0 C--N 1.333 0.411 0 CA-C-N 115.543 -0.753 . . . . 0.0 114.161 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -63.31 -52.09 63.36 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 117.367 0.583 . . . . 0.0 111.777 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -129.82 143.22 50.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.117 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -82.05 158.58 23.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.786 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 97.97 9.46 54.06 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.557 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 700' ' ' VAL . . . . . 0.478 HG21 HD12 ' A' ' 690' ' ' ILE . 58.2 t -104.52 123.98 58.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.27 -45.38 88.31 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -147.98 141.39 25.3 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.66 0.266 . . . . 0.0 110.724 -179.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -107.33 138.87 42.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.024 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 704' ' ' ILE . . . . . 0.479 ' HB ' ' HG ' ' A' ' 691' ' ' LEU . 1.4 mm -112.76 98.7 45.69 Favored Pre-proline 0 C--N 1.331 -0.218 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.608 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -71.34 148.17 54.44 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.364 2.043 . . . . 0.0 113.039 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 706' ' ' LEU . . . . . 0.803 HD23 HG23 ' A' ' 708' ' ' ILE . 88.0 mt -98.95 149.74 36.03 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.952 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 707' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.95 154.73 99.76 Favored 'Cis proline' 0 C--N 1.352 0.718 0 C-N-CA 123.77 -1.346 . . . . 0.0 112.682 -0.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 708' ' ' ILE . . . . . 0.803 HG23 HD23 ' A' ' 706' ' ' LEU . 41.6 pt -107.59 155.05 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.252 0.549 . . . . 0.0 111.616 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -111.42 148.0 37.87 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 178.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -52.35 -51.02 12.07 Favored 'Trans proline' 0 N--CA 1.475 0.425 0 C-N-CA 122.374 2.049 . . . . 0.0 113.461 -178.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -67.05 -40.13 87.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.277 179.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 68.6 m -62.85 -47.2 84.41 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.091 -179.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 713' ' ' PHE . . . . . 0.573 ' HE1' HD11 ' A' ' 691' ' ' LEU . 82.2 t80 -60.51 -49.08 78.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.799 179.055 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 2.9 tt -60.72 -44.26 96.84 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.088 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -63.62 -42.85 98.16 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 121.103 -0.239 . . . . 0.0 111.357 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -65.56 -41.49 92.91 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.734 -0.212 . . . . 0.0 111.192 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 717' ' ' VAL . . . . . 0.671 ' O ' ' HG ' ' A' ' 721' ' ' LEU . 61.8 t -65.58 -46.23 90.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.82 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 91.4 m -60.83 -46.22 91.38 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.53 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 63.5 mtt -63.24 -39.07 93.58 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.829 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -71.53 -16.0 75.59 Favored Glycine 0 CA--C 1.522 0.511 0 C-N-CA 120.952 -0.642 . . . . 0.0 113.14 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 721' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' A' ' 717' ' ' VAL . 97.3 mt -92.0 -1.22 57.36 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 722' ' ' THR . . . . . 0.421 ' C ' ' H ' ' A' ' 724' ' ' LEU . 73.5 p -68.61 151.71 46.36 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.489 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 33.8 m 71.77 -36.95 0.38 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.275 0.63 . . . . 0.0 111.462 -178.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 724' ' ' LEU . . . . . 0.434 HD21 ' O ' ' A' ' 657' ' ' ILE . 64.3 tp -62.16 -49.2 76.77 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 123.002 0.521 . . . . 0.0 111.284 179.179 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -164.17 171.27 15.25 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.412 -179.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 76.1 p -76.85 160.44 29.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.538 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 80.4 p -139.24 155.89 47.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.727 0.298 . . . . 0.0 111.198 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -63.57 -40.02 95.9 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.665 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.38 -0.819 . . . . 0.0 110.721 -179.812 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 120.949 0.404 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.58 116.5 66.32 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -56.61 -39.2 93.01 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.947 2.431 . . . . 0.0 113.11 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 59.2 tp -129.9 117.77 20.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.349 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.69 38.63 0.48 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.626 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -84.48 82.66 8.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.014 0.435 . . . . 0.0 111.822 -178.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.664 HG21 ' HB ' ' A' ' 634' ' ' THR . 81.1 p -129.61 155.11 46.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.353 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.555 ' HB3' ' HB3' ' B' ' 40' ' ' TYR . . . -99.91 145.9 27.28 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.407 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 64.6 t -109.78 117.5 54.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.292 0.567 . . . . 0.0 112.204 -178.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.626 ' HG ' HD21 ' B' ' 65' ' ' LEU . 7.9 mp -99.98 115.6 30.08 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.455 178.063 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.513 ' HB2' ' HB3' ' B' ' 66' ' ' ALA . 57.8 mtpt -102.35 109.22 20.82 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.943 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.459 HD23 HG13 ' B' ' 14' ' ' VAL . 0.3 OUTLIER -96.99 115.71 27.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.055 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 13' ' ' TYR . . . . . 0.435 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 42.0 m-85 -95.85 130.59 42.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.974 179.509 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.459 HG13 HD23 ' B' ' 12' ' ' LEU . 27.8 m -131.83 164.3 35.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.052 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.33 108.9 11.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.082 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.47 176.62 43.12 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.066 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -111.7 29.51 7.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.863 0.363 . . . . 0.0 110.659 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 61.0 p -70.1 157.06 90.74 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.562 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -55.18 -34.58 88.35 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.161 2.574 . . . . 0.0 113.344 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -60.41 -44.63 95.53 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.816 0.341 . . . . 0.0 110.783 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 73.3 m -68.16 -39.23 82.67 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.593 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.431 HG13 ' HB2' ' A' ' 653' ' ' ALA . 70.0 t -65.94 -45.85 89.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.322 -179.537 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' B' ' 23' ' ' ARG . 17.6 ttm105 -62.78 -39.24 93.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.965 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.65 -40.56 88.1 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.948 -179.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.637 ' HB3' HD21 ' A' ' 654' ' ' LEU . 85.2 mt -62.2 -41.6 98.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.208 178.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.49 -40.17 96.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.758 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 92.6 m -63.0 -47.49 82.9 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.314 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.409 ' HG ' HG11 ' B' ' 86' ' ' VAL . 1.5 mp -70.84 -39.67 72.85 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.668 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.93 -41.21 95.79 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.282 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -61.16 -43.07 99.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.849 0.356 . . . . 0.0 111.036 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.65 HD11 ' HG3' ' B' ' 83' ' ' ARG . 96.2 mt -69.91 -41.76 79.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.84 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.432 HD12 HD21 ' B' ' 90' ' ' LEU . 0.2 OUTLIER -68.73 -41.1 79.45 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.851 -179.357 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.95 -22.03 62.27 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -98.56 -59.95 1.64 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -178.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -90.44 -24.59 20.69 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -176.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -120.11 29.91 7.27 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -177.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -68.37 125.88 27.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.756 0.312 . . . . 0.0 110.671 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 634' ' ' THR . . . 78.77 16.67 78.73 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.954 -0.641 . . . . 0.0 113.354 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 42.7 t -107.75 -50.29 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.869 0.335 . . . . 0.0 111.035 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' TYR . . . . . 0.555 ' HB3' ' HB3' ' B' ' 8' ' ' ALA . 27.2 p90 -149.98 165.48 32.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.204 0.526 . . . . 0.0 111.802 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.446 ' HB1' ' SG ' ' A' ' 630' ' ' CYS . . . -111.64 157.64 20.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.194 -177.424 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 tt -126.91 130.94 51.11 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.998 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -114.34 145.79 41.34 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 58.4 t -118.53 125.01 74.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.755 0.312 . . . . 0.0 111.454 -179.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 2.3 mp -123.7 134.27 66.88 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-O 121.024 0.44 . . . . 0.0 111.365 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -97.71 113.42 25.18 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.389 178.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.541 HG12 ' HB2' ' B' ' 54' ' ' ALA . 35.1 m -61.91 -29.19 45.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -178.003 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 91.4 mt -66.53 -39.5 88.65 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -70.43 -38.91 74.63 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.514 ' OD1' ' HG2' ' B' ' 52' ' ' GLN . 11.1 t-20 -144.23 86.4 8.32 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-O 120.687 0.28 . . . . 0.0 110.706 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -56.39 -32.78 89.95 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.627 2.885 . . . . 0.0 114.006 -179.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.514 ' HG2' ' OD1' ' B' ' 50' ' ' ASN . 26.3 pt20 -63.71 -26.01 68.46 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -178.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.77 -41.74 95.64 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.934 0.397 . . . . 0.0 110.229 179.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ALA . . . . . 0.541 ' HB2' HG12 ' B' ' 47' ' ' VAL . . . -68.18 -38.9 82.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.457 178.413 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.2 -37.13 84.13 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.435 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.23 -39.25 93.57 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.497 -178.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -99.41 8.36 44.68 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 58.43 47.92 12.97 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.431 0.457 . . . . 0.0 112.152 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.502 ' HB ' ' HB1' ' B' ' 54' ' ' ALA . 45.8 mm -87.61 112.51 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.911 0.386 . . . . 0.0 110.597 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 89.7 mt -113.2 9.91 18.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.55 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -146.09 164.27 32.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.645 0.26 . . . . 0.0 111.156 -179.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -159.72 137.71 7.37 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.291 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' PRO . . . . . 0.435 ' HA ' ' O ' ' B' ' 13' ' ' TYR . 73.8 Cg_endo -74.78 145.6 84.39 Favored 'Cis proline' 0 C--N 1.351 0.685 0 C-N-CA 123.247 -1.564 . . . . 0.0 112.965 -1.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 93.4 m -134.99 136.82 42.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.052 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.626 HD21 ' HG ' ' B' ' 10' ' ' LEU . 5.8 tt -99.75 120.93 40.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.916 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 66' ' ' ALA . . . . . 0.513 ' HB3' ' HB2' ' B' ' 11' ' ' LYS . . . -109.17 131.47 55.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.531 -179.402 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -99.79 123.94 44.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.268 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 22.6 t -97.74 -56.21 5.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.782 0.325 . . . . 0.0 111.251 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.474 ' HA ' ' C ' ' B' ' 70' ' ' PRO . 2.7 pt? -158.92 159.48 29.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.344 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 70' ' ' PRO . . . . . 0.474 ' C ' ' HA ' ' B' ' 69' ' ' LEU . 32.0 Cg_exo -62.72 142.64 42.27 Favored 'Cis proline' 0 C--N 1.354 0.842 0 C-N-CA 124.397 -1.085 . . . . 0.0 113.061 -1.016 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 71' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' B' ' 70' ' ' PRO . 24.1 Cg_exo -65.28 165.12 23.17 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.06 2.506 . . . . 0.0 111.995 178.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -72.31 162.2 90.78 Favored 'Cis proline' 0 C--N 1.354 0.858 0 C-N-CA 124.57 -1.012 . . . . 0.0 114.394 1.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 33.6 m -88.56 149.14 4.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.202 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.643 HH21 HD23 ' B' ' 93' ' ' LEU . 40.9 ptt180 -159.03 162.67 36.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.545 179.575 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 95.8 mtm-85 -124.73 142.05 51.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.775 0.321 . . . . 0.0 110.848 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' ILE . . . . . 0.502 HD12 HD22 ' B' ' 65' ' ' LEU . 80.5 mt -116.11 120.53 65.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.187 179.401 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 82.5 mt -119.85 126.2 75.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.13 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 175.45 -170.67 43.73 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.297 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -84.41 106.61 16.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.726 0.298 . . . . 0.0 110.512 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 96.8 mt -85.0 -5.86 59.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.493 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 71.1 m -65.87 -32.44 73.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.812 178.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -84.62 110.8 19.0 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.434 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' ARG . . . . . 0.65 ' HG3' HD11 ' B' ' 31' ' ' ILE . 61.8 ttp180 -60.48 -37.93 82.63 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.648 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -58.85 -46.69 87.13 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 120.708 0.29 . . . . 0.0 110.947 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -66.95 -41.03 87.64 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.63 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.409 HG11 ' HG ' ' B' ' 28' ' ' LEU . 76.4 t -60.17 -42.74 91.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.556 -179.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 87' ' ' LEU . . . . . 0.498 ' O ' ' HG2' ' B' ' 91' ' ' ARG . 62.8 tp -59.99 -42.79 94.96 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 86.2 mt -60.72 -48.03 90.5 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.241 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.39 -40.45 95.82 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.741 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.432 HD21 HD12 ' B' ' 32' ' ' LEU . 5.2 mp -67.45 -33.18 74.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.044 -179.551 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' B' ' 87' ' ' LEU . 40.1 mmt180 -62.24 -37.63 86.15 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.785 0.326 . . . . 0.0 110.397 178.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.47 -39.63 94.04 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.038 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.643 HD23 HH21 ' B' ' 74' ' ' ARG . 84.7 mt -64.98 -40.52 95.1 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.162 178.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.43 ' HA ' HG22 ' B' ' 97' ' ' ILE . . . -63.21 -37.61 87.9 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.391 179.386 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.08 -42.45 94.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.59 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -65.02 -44.32 89.57 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.607 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.43 HG22 ' HA ' ' B' ' 94' ' ' ALA . 10.5 tp -70.89 -28.83 34.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 120.781 0.324 . . . . 0.0 111.646 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.41 -8.89 87.4 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.81 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 30.6 t0 57.26 45.64 19.98 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.106 0.479 . . . . 0.0 111.174 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -128.71 130.41 47.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.306 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 38.1 mtmm -101.39 131.0 47.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.581 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 102' ' ' ASP . . . . . 0.528 ' OD2' ' HB2' ' B' ' 104' ' ' ASP . 36.1 t70 -63.68 -40.44 96.82 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.27 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 31.2 t0 58.11 50.87 9.36 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.717 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 104' ' ' ASP . . . . . 0.528 ' HB2' ' OD2' ' B' ' 102' ' ' ASP . 44.3 t0 -87.32 104.26 16.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.492 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -156.84 159.96 38.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.277 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 12.2 tptp . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.635 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.933 0.397 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . -167.35 169.96 41.33 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.499 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -83.08 135.11 34.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.167 0.508 . . . . 0.0 111.794 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 616' ' ' ILE . . . . . 0.778 ' HB ' HG22 ' A' ' 640' ' ' VAL . 24.8 mm -124.03 128.12 73.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.921 179.294 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 617' ' ' VAL . . . . . 0.447 ' HB ' ' HG3' ' A' ' 656' ' ' PRO . 69.0 t -118.05 124.9 73.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.152 0.501 . . . . 0.0 111.205 178.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 63.7 tp -104.11 120.53 41.29 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 619' ' ' VAL . . . . . 0.685 HG12 ' HB3' ' A' ' 645' ' ' ASP . 2.0 t -113.35 98.17 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.961 0.41 . . . . 0.0 110.489 -179.438 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 37.2 t -158.32 144.8 17.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.463 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 621' ' ' GLU . . . . . 0.473 ' HG2' ' OD1' ' A' ' 645' ' ' ASP . 70.4 mm-40 -73.88 -19.59 60.67 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 120.842 0.353 . . . . 0.0 111.01 179.197 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -79.88 110.55 15.35 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.293 -0.412 . . . . 0.0 112.042 -177.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 50.6 mp0 -70.16 -23.04 62.92 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.376 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.42 96.94 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.674 0.273 . . . . 0.0 111.406 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 625' ' ' THR . . . . . 0.543 ' O ' ' HB ' ' A' ' 629' ' ' ILE . 0.8 OUTLIER -75.3 -23.86 57.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.107 178.653 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 49.4 m -62.06 -48.82 78.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.494 -178.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 85.4 m -69.97 -44.19 69.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.936 0.398 . . . . 0.0 111.507 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 66.0 tp -65.17 -47.46 76.91 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -178.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 629' ' ' ILE . . . . . 0.577 HD11 HD11 ' A' ' 708' ' ' ILE . 0.6 OUTLIER -73.87 -41.45 53.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -177.479 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 91.0 m -62.73 -42.18 99.53 Favored 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.335 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 61.5 m -63.62 -42.86 98.16 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.629 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.44 -50.52 79.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 633' ' ' LEU . . . . . 0.732 HD13 HG21 ' A' ' 616' ' ' ILE . 78.2 mt -72.81 -40.16 66.05 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -179.682 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 634' ' ' THR . . . . . 0.74 ' HB ' HG21 ' B' ' 7' ' ' THR . 87.4 m -65.37 -41.86 93.36 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -178.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 635' ' ' THR . . . . . 0.454 ' OG1' HG23 ' B' ' 7' ' ' THR . 39.2 m -62.07 -37.03 83.46 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.086 0.47 . . . . 0.0 110.078 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -68.81 -7.41 33.94 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.463 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 108.41 7.29 30.43 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.52 -0.848 . . . . 0.0 113.876 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 638' ' ' TYR . . . . . 0.692 ' O ' ' HA ' ' A' ' 634' ' ' THR . 85.7 m-85 -96.12 148.56 22.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.881 0.341 . . . . 0.0 110.345 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -98.42 104.36 16.39 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 179.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 640' ' ' VAL . . . . . 0.778 HG22 ' HB ' ' A' ' 616' ' ' ILE . 43.9 t -102.72 128.87 55.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -177.152 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 641' ' ' ILE . . . . . 0.547 HG21 HD22 ' A' ' 654' ' ' LEU . 85.8 mt -121.71 127.47 75.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 114.913 -1.04 . . . . 0.0 108.748 177.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 642' ' ' TRP . . . . . 0.417 ' CH2' HG22 ' A' ' 644' ' ' VAL . 74.7 t90 -95.61 122.08 37.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.026 0.441 . . . . 0.0 111.159 -179.339 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 69.4 mt -117.08 138.45 51.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.896 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 644' ' ' VAL . . . . . 0.417 HG22 ' CH2' ' A' ' 642' ' ' TRP . 56.8 t -75.75 131.45 34.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 645' ' ' ASP . . . . . 0.685 ' HB3' HG12 ' A' ' 619' ' ' VAL . 5.7 p-10 -66.55 166.28 12.99 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -177.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 101.48 -17.82 54.61 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 114.802 -1.09 . . . . 0.0 112.763 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -115.29 103.13 10.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.897 0.349 . . . . 0.0 111.381 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 68.9 t -68.66 -39.88 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.56 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -58.61 -36.9 74.77 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.79 0.329 . . . . 0.0 110.129 178.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 25.1 tpp180 -61.67 -41.29 97.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.564 177.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.35 -41.62 89.26 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.009 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 8.0 mp -65.88 -39.18 90.44 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.383 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 653' ' ' ALA . . . . . 0.515 ' HB2' HG13 ' B' ' 22' ' ' VAL . . . -58.85 -42.06 88.45 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 120.867 0.365 . . . . 0.0 111.609 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 654' ' ' LEU . . . . . 0.757 HD21 HD12 ' B' ' 25' ' ' LEU . 3.4 mp -110.82 30.26 7.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.884 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 655' ' ' THR . . . . . . . . . . . . . 8.5 t -52.63 112.94 3.87 Favored Pre-proline 0 N--CA 1.469 0.523 0 CA-C-O 121.97 0.891 . . . . 0.0 112.927 -177.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 656' ' ' PRO . . . . . 0.447 ' HG3' ' HB ' ' A' ' 617' ' ' VAL . 23.8 Cg_endo -90.31 -168.23 0.28 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 124.388 3.392 . . . . 0.0 112.743 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 44.3 pt -93.57 -14.05 8.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.726 177.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -148.35 136.38 21.03 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.812 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.783 HG23 HD11 ' A' ' 686' ' ' LEU . 86.7 t -119.21 129.9 74.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 120.808 0.337 . . . . 0.0 111.172 -179.506 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 660' ' ' LEU . . . . . 0.649 HD23 ' HB2' ' A' ' 689' ' ' PHE . 78.7 mt -106.41 122.93 47.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.842 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 88.5 mt -112.97 121.06 43.53 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -121.99 128.31 51.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.872 0.368 . . . . 0.0 111.988 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 663' ' ' GLU . . . . . 0.544 ' HB2' ' HA ' ' A' ' 664' ' ' PRO . 24.3 pt-20 -80.58 163.17 57.79 Favored Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.364 179.315 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 664' ' ' PRO . . . . . 0.544 ' HA ' ' HB2' ' A' ' 663' ' ' GLU . 75.3 Cg_endo -82.2 160.72 78.16 Favored 'Cis proline' 0 C--N 1.353 0.787 0 C-N-CA 124.658 -0.976 . . . . 0.0 113.876 -0.58 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 665' ' ' PHE . . . . . 0.457 ' CD1' ' HB ' ' A' ' 670' ' ' VAL . 75.2 m-85 -110.98 106.41 15.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.978 178.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 666' ' ' SER . . . . . 0.407 ' OG ' ' HG3' ' A' ' 621' ' ' GLU . 83.0 p -69.44 -36.72 76.92 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -179.227 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -124.15 118.5 27.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.914 0.388 . . . . 0.0 110.992 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 88.06 160.11 35.4 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.56 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 669' ' ' ASP . . . . . 0.691 ' O ' ' HG2' ' A' ' 672' ' ' GLU . 99.8 m-20 -95.9 136.08 36.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.663 0.268 . . . . 0.0 110.401 179.387 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 670' ' ' VAL . . . . . 0.457 ' HB ' ' CD1' ' A' ' 665' ' ' PHE . 7.1 p -65.19 -29.51 47.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.935 0.397 . . . . 0.0 111.195 179.541 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -64.16 -39.35 93.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.762 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 672' ' ' GLU . . . . . 0.691 ' HG2' ' O ' ' A' ' 669' ' ' ASP . 10.5 pt-20 -69.51 -30.13 67.91 Favored 'General case' 0 CA--C 1.528 0.101 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.087 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 84.2 mt -64.39 -41.1 96.84 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 120.803 0.335 . . . . 0.0 110.901 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 74.6 t -62.22 -46.19 97.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.884 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -62.45 -44.81 95.5 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.557 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -62.76 -42.87 99.88 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.685 0.279 . . . . 0.0 111.406 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 89.0 mt -65.75 -39.84 91.48 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.736 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -38.66 92.03 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.203 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -64.21 -36.77 85.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.797 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -87.42 -42.43 12.83 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -178.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 77.1 m -125.06 134.06 52.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.723 0.297 . . . . 0.0 110.751 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 30.7 p -71.88 157.42 89.61 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.889 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -56.15 -34.63 93.62 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.922 2.414 . . . . 0.0 113.177 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -72.68 -22.28 60.94 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.28 -35.43 11.25 Favored 'General case' 0 C--N 1.334 -0.093 0 C-N-CA 121.071 -0.251 . . . . 0.0 111.58 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 686' ' ' LEU . . . . . 0.783 HD11 HG23 ' A' ' 659' ' ' VAL . 63.4 tp -129.29 130.75 46.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.645 0.259 . . . . 0.0 110.734 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -102.13 140.26 36.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 110.32 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 688' ' ' ILE . . . . . 0.486 ' O ' ' HA ' ' A' ' 700' ' ' VAL . 82.1 mt -118.81 128.98 75.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.11 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 689' ' ' PHE . . . . . 0.649 ' HB2' HD23 ' A' ' 660' ' ' LEU . 96.7 m-85 -119.44 139.98 51.16 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 41.0 mm -112.33 127.09 69.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.415 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 691' ' ' LEU . . . . . 0.583 HD11 ' HE1' ' A' ' 713' ' ' PHE . 2.7 mp -107.41 122.41 46.54 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.892 0.377 . . . . 0.0 111.941 -179.594 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 692' ' ' GLY . . . . . 0.419 ' HA2' ' HB2' ' A' ' 706' ' ' LEU . . . 98.54 -20.1 51.78 Favored Glycine 0 CA--C 1.519 0.316 0 N-CA-C 115.06 0.784 . . . . 0.0 115.06 177.641 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 85.9 p -139.05 163.94 31.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 117.936 0.868 . . . . 0.0 111.76 -179.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 694' ' ' LYS . . . . . 0.512 ' HA ' ' CD2' ' A' ' 703' ' ' TYR . 64.3 pttt -146.65 159.61 43.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.451 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . 172.21 -173.37 45.23 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.176 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -87.43 83.74 7.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.787 0.327 . . . . 0.0 110.771 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -125.64 143.86 50.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.62 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -91.48 146.33 23.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.534 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 93.75 -9.6 73.27 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.707 -0.759 . . . . 0.0 113.128 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 700' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' A' ' 688' ' ' ILE . 59.8 t -98.49 108.77 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.385 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -70.84 -41.67 71.18 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -146.78 143.58 28.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.088 0.47 . . . . 0.0 112.086 -178.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 703' ' ' TYR . . . . . 0.512 ' CD2' ' HA ' ' A' ' 694' ' ' LYS . 96.1 m-85 -106.5 134.8 49.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.946 178.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 704' ' ' ILE . . . . . 0.432 ' HB ' ' HG ' ' A' ' 691' ' ' LEU . 4.7 mp -109.24 112.35 59.54 Favored Pre-proline 0 C--N 1.327 -0.385 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 705' ' ' PRO . . . . . 0.528 ' O ' HG22 ' A' ' 708' ' ' ILE . 66.1 Cg_endo -71.95 153.41 58.11 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 122.88 2.387 . . . . 0.0 113.456 -179.405 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 706' ' ' LEU . . . . . 0.745 HD12 ' HA ' ' A' ' 707' ' ' PRO . 30.1 tp -109.35 138.08 20.42 Favored Pre-proline 0 CA--C 1.533 0.322 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.729 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 707' ' ' PRO . . . . . 0.745 ' HA ' HD12 ' A' ' 706' ' ' LEU . 61.5 Cg_endo -70.79 157.15 95.19 Favored 'Cis proline' 0 C--N 1.355 0.87 0 C-N-CA 124.365 -1.098 . . . . 0.0 113.388 0.539 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 708' ' ' ILE . . . . . 0.577 HD11 HD11 ' A' ' 629' ' ' ILE . 19.5 pt -106.61 153.67 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.088 -179.176 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -111.7 146.58 35.01 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -53.52 -51.65 10.41 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.451 2.101 . . . . 0.0 113.634 -178.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 48.9 mp0 -66.99 -40.2 87.33 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.383 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 69.1 m -63.59 -46.7 84.64 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.17 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 713' ' ' PHE . . . . . 0.583 ' HE1' HD11 ' A' ' 691' ' ' LEU . 79.7 t80 -60.25 -49.03 79.23 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.086 179.305 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 63.0 tp -61.49 -43.59 98.6 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.996 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -63.81 -41.91 97.8 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 121.151 -0.22 . . . . 0.0 111.511 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -64.54 -41.39 96.39 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 121.099 -0.24 . . . . 0.0 110.9 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 717' ' ' VAL . . . . . . . . . . . . . 68.8 t -65.7 -45.64 91.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.814 0.34 . . . . 0.0 110.318 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 89.4 m -60.96 -46.53 90.35 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.27 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -39.44 94.02 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.648 179.248 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -63.35 -40.78 99.32 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.208 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.62 -22.2 62.56 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.551 0.215 . . . . 0.0 111.277 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 94.0 m -61.24 -40.68 94.93 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.2 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 74.1 m -63.07 -39.66 95.37 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.582 178.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 724' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.6 -46.31 86.37 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.469 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -148.91 142.29 25.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.858 0.361 . . . . 0.0 111.273 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 71.9 p -80.97 162.77 23.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.422 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 49.7 m 58.8 39.88 23.57 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.709 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -114.6 134.29 55.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.699 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 7.7 tm0? . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.517 179.978 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.3 mmt . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.691 0.282 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.81 100.05 51.04 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.774 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -57.21 -40.81 79.86 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.95 2.433 . . . . 0.0 113.058 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 mp 48.72 52.8 13.35 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.693 0.621 . . . . 0.0 112.434 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.52 98.8 8.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.684 -0.235 . . . . 0.0 110.781 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -142.57 65.62 1.35 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.952 0.406 . . . . 0.0 110.598 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.74 HG21 ' HB ' ' A' ' 634' ' ' THR . 51.5 p -132.11 159.44 38.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.42 -179.575 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -107.65 150.32 27.05 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.41 HG11 ' HE2' ' B' ' 43' ' ' LYS . 65.4 t -122.46 127.26 75.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -177.737 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 83.6 mt -110.17 139.94 44.8 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.688 178.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -118.1 146.26 44.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.647 0.26 . . . . 0.0 110.941 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.5 ' HG ' HG23 ' B' ' 44' ' ' VAL . 0.2 OUTLIER -140.86 134.86 30.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.113 0.482 . . . . 0.0 111.298 179.146 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 13' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 75.8 m-85 -102.12 129.89 48.58 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.348 179.185 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.506 HG12 ' HB3' ' B' ' 63' ' ' PRO . 15.9 m -140.56 174.25 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.15 -178.551 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.24 145.65 24.28 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.449 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLY . . . . . 0.454 ' H ' HD12 ' B' ' 48' ' ' LEU . . . -71.98 131.21 17.76 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 114.911 0.724 . . . . 0.0 114.911 -178.053 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 51.34 39.97 25.34 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 178.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.3 p -106.59 136.99 19.33 Favored Pre-proline 0 C--N 1.321 -0.657 0 C-N-CA 120.368 -0.533 . . . . 0.0 109.628 178.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -53.55 -40.28 79.59 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.821 2.348 . . . . 0.0 113.584 -178.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -63.32 -40.85 98.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.039 0.447 . . . . 0.0 110.176 179.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.42 ' OG ' ' HB ' ' B' ' 14' ' ' VAL . 43.3 t -70.65 -42.66 70.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.88 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.515 HG13 ' HB2' ' A' ' 653' ' ' ALA . 53.3 t -60.25 -47.25 92.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.841 -179.429 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -68.21 -38.19 81.66 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.671 179.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.82 -40.94 94.64 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.757 HD12 HD21 ' A' ' 654' ' ' LEU . 3.1 mm? -64.19 -38.48 91.19 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.686 0.279 . . . . 0.0 111.013 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.29 -40.63 97.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.081 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 5.9 t -76.82 -39.01 52.81 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.922 -179.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.543 HD21 HD21 ' B' ' 65' ' ' LEU . 4.8 mp -64.52 -42.73 95.58 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.689 0.28 . . . . 0.0 110.644 179.377 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.61 -40.55 97.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.043 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -63.13 -44.73 94.76 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.388 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.698 HD11 ' HG3' ' B' ' 83' ' ' ARG . 88.1 mt -63.0 -45.29 99.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.145 -179.209 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.53 -42.7 98.41 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.722 -179.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.652 ' O ' ' HB2' ' B' ' 37' ' ' LYS . 44.4 tt0 -67.6 -43.75 79.76 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -67.03 -44.75 79.45 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -177.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -95.99 -44.52 7.31 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -177.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -129.59 60.0 1.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -176.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.652 ' HB2' ' O ' ' B' ' 33' ' ' GLU . 39.5 ttpt -72.97 134.94 44.91 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.837 -179.694 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.67 5.28 88.38 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.867 -0.682 . . . . 0.0 113.992 178.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -111.67 -68.01 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 117.288 0.544 . . . . 0.0 111.137 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' TYR . . . . . 0.512 ' CE1' ' HA ' ' B' ' 94' ' ' ALA . 62.8 m-85 -92.96 137.64 32.18 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -105.25 150.47 25.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.231 177.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.488 HD11 HD22 ' B' ' 12' ' ' LEU . 48.9 tp -118.71 127.61 53.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -177.381 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.443 ' O ' HD23 ' B' ' 12' ' ' LEU . 46.0 mtmt -114.55 141.61 47.51 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.392 178.064 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.5 HG23 ' HG ' ' B' ' 12' ' ' LEU . 7.7 p -127.09 138.31 55.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 121.21 0.529 . . . . 0.0 112.248 -178.52 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.2 mp -126.86 132.28 70.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.957 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -92.61 118.38 30.96 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.433 HG12 ' HB2' ' B' ' 54' ' ' ALA . 29.0 m -74.02 -24.58 19.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -177.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.454 HD12 ' H ' ' B' ' 16' ' ' GLY . 86.9 mt -65.23 -40.84 94.61 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -179.052 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -74.81 -39.95 61.38 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.644 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.45 ' HB2' HD12 ' B' ' 53' ' ' LEU . 34.7 m120 -130.57 81.44 67.74 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.112 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -56.81 -31.14 87.62 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.089 2.526 . . . . 0.0 113.045 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 18.6 pm0 -64.15 -26.02 68.34 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.45 HD12 ' HB2' ' B' ' 50' ' ' ASN . 89.1 mt -65.13 -41.28 94.96 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.789 0.328 . . . . 0.0 110.731 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ALA . . . . . 0.433 ' HB2' HG12 ' B' ' 47' ' ' VAL . . . -66.23 -40.49 90.33 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.149 0.499 . . . . 0.0 110.396 178.563 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.54 -38.09 89.82 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.673 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -61.68 -39.79 92.68 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.652 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -92.0 8.13 39.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.964 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt 57.35 38.84 28.61 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.337 0.655 . . . . 0.0 112.576 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 91.1 mt -111.39 122.9 66.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.69 0.281 . . . . 0.0 110.868 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' B' ' 60' ' ' LEU . 1.5 mm? -116.99 19.78 14.14 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 -179.289 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -146.13 150.65 36.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.824 -0.171 . . . . 0.0 110.773 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 75.1 p -141.89 149.52 53.21 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.779 -0.191 . . . . 0.0 111.205 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' PRO . . . . . 0.506 ' HB3' HG12 ' B' ' 14' ' ' VAL . 89.5 Cg_endo -80.05 146.76 75.47 Favored 'Cis proline' 0 C--N 1.35 0.627 0 C-N-CA 123.532 -1.445 . . . . 0.0 112.969 -1.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' THR . . . . . 0.43 ' O ' ' HA ' ' B' ' 12' ' ' LEU . 97.5 m -131.06 135.62 47.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.681 179.449 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.543 HD21 HD21 ' B' ' 28' ' ' LEU . 89.4 mt -99.8 129.77 45.93 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.027 0.442 . . . . 0.0 111.117 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -117.27 131.81 56.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.995 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.545 ' HE2' ' O ' ' B' ' 70' ' ' PRO . 87.0 tttt -95.63 124.15 39.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.666 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.548 HG12 ' HG ' ' B' ' 69' ' ' LEU . 41.1 t -104.36 -62.81 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.802 0.334 . . . . 0.0 110.762 179.39 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.548 ' HG ' HG12 ' B' ' 68' ' ' VAL . 90.6 mt -135.12 146.58 58.93 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.391 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 70' ' ' PRO . . . . . 0.545 ' O ' ' HE2' ' B' ' 67' ' ' LYS . 96.0 Cg_endo -77.48 158.06 95.61 Favored 'Cis proline' 0 C--N 1.348 0.54 0 C-N-CA 123.678 -1.384 . . . . 0.0 112.104 -1.114 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.82 165.33 32.47 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 122.45 2.1 . . . . 0.0 112.331 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.47 158.61 97.24 Favored 'Cis proline' 0 C--N 1.353 0.785 0 C-N-CA 124.319 -1.117 . . . . 0.0 114.068 1.013 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 35.7 m -83.22 151.78 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.247 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 -158.73 162.99 37.2 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.288 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 44.4 ptt85 -129.41 142.1 50.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.893 0.378 . . . . 0.0 110.66 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 82.9 mt -121.69 124.18 71.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.987 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -116.33 125.81 73.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.943 179.446 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 179.88 -171.59 43.1 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.329 -0.938 . . . . 0.0 112.502 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -85.64 104.94 15.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.782 0.325 . . . . 0.0 110.597 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.5 HD12 ' HB2' ' B' ' 63' ' ' PRO . 94.0 mt -91.96 0.76 57.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.29 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 55.5 m -66.02 -33.51 75.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.086 0.47 . . . . 0.0 110.568 179.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.468 ' O ' HG23 ' B' ' 86' ' ' VAL . 62.6 t-20 -92.26 119.21 31.64 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.341 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 83' ' ' ARG . . . . . 0.698 ' HG3' HD11 ' B' ' 31' ' ' ILE . 60.1 ttp180 -59.43 -37.72 78.8 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.466 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.92 -44.84 91.39 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 120.849 0.357 . . . . 0.0 110.54 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.89 -39.07 83.69 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.923 179.458 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 82' ' ' ASN . 86.0 t -60.68 -42.45 91.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.367 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 75.9 mt -60.62 -39.35 87.87 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-O 120.665 0.269 . . . . 0.0 110.952 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 90.2 mt -61.32 -47.02 95.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.048 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -85.29 -46.48 10.97 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -178.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.413 HD12 HD12 ' B' ' 93' ' ' LEU . 48.6 tp -66.13 -40.07 90.37 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -177.359 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -62.07 -34.74 76.84 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.591 0.234 . . . . 0.0 110.999 -179.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.41 -37.6 81.37 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.426 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.413 HD12 HD12 ' B' ' 90' ' ' LEU . 88.1 mt -62.15 -39.68 93.43 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.085 178.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.608 ' O ' HG22 ' B' ' 97' ' ' ILE . . . -62.95 -39.7 95.43 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.417 179.238 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.48 -33.24 73.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.391 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -59.51 -38.88 82.1 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.372 -178.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.608 HG22 ' O ' ' B' ' 94' ' ' ALA . 14.0 tt -67.81 -26.0 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-O 120.811 0.338 . . . . 0.0 111.171 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -74.74 -13.56 82.12 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 121.033 -0.604 . . . . 0.0 112.925 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -85.6 75.36 10.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.978 0.418 . . . . 0.0 110.508 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -133.53 128.69 35.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.223 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -89.57 128.19 35.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.933 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -154.49 160.24 41.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.0 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -86.18 179.0 7.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.794 0.331 . . . . 0.0 110.959 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -157.7 160.11 37.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.106 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -156.29 157.93 36.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.35 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.238 -0.887 . . . . 0.0 111.469 -179.887 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . 0.418 ' O ' HD13 ' A' ' 657' ' ' ILE . 47.0 mt-10 . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 121.011 0.434 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . -114.29 25.16 10.76 Favored Glycine 0 CA--C 1.517 0.194 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.764 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -93.32 123.76 36.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.063 0.459 . . . . 0.0 111.386 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.494 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 86.4 mt -123.09 131.61 72.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.229 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 617' ' ' VAL . . . . . 0.558 HG23 ' HB3' ' A' ' 656' ' ' PRO . 86.5 t -109.13 126.88 66.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.16 0.505 . . . . 0.0 111.026 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.412 HD21 ' HA ' ' A' ' 626' ' ' SER . 55.5 tp -112.45 125.36 54.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.498 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 60.7 t -116.68 117.19 54.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.311 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . 0.653 ' HB2' ' HB3' ' A' ' 662' ' ' ALA . 33.1 t -165.92 141.48 4.9 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.49 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 37.2 mp0 -70.61 -28.29 64.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.631 0.253 . . . . 0.0 111.245 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -80.6 108.01 13.88 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.27 0.557 . . . . 0.0 111.272 -178.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.42 -36.22 82.26 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.192 -0.913 . . . . 0.0 113.255 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -59.68 -46.91 87.63 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -178.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . 0.423 ' O ' HG12 ' A' ' 629' ' ' ILE . 92.4 m -67.45 -41.41 84.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.295 0.569 . . . . 0.0 110.013 178.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 626' ' ' SER . . . . . 0.412 ' HA ' HD21 ' A' ' 618' ' ' LEU . 68.3 m -62.09 -41.0 97.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.208 -0.906 . . . . 0.0 112.077 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 88.5 m -62.47 -43.81 97.91 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 120.748 0.309 . . . . 0.0 110.993 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 64.0 tp -63.87 -44.98 91.45 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.693 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 629' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 625' ' ' THR . 41.8 mm -63.1 -44.11 99.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.15 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 98.7 m -61.9 -44.41 96.85 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.252 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 65.0 m -66.96 -39.98 87.36 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 -178.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 20.3 tt -69.16 -43.15 81.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 633' ' ' LEU . . . . . 0.405 ' HB2' HG21 ' A' ' 640' ' ' VAL . 85.7 mt -70.54 -36.84 73.92 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . 0.829 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 0.7 OUTLIER -62.87 -44.57 95.77 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -179.376 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 635' ' ' THR . . . . . 0.639 HG21 ' H ' ' B' ' 5' ' ' ARG . 26.3 p -67.36 -16.38 64.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.7 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -89.89 1.27 56.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.137 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 102.53 -0.61 49.57 Favored Glycine 0 C--N 1.335 0.512 0 C-N-CA 120.946 -0.645 . . . . 0.0 113.825 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 638' ' ' TYR . . . . . 0.829 ' O ' ' HA ' ' A' ' 634' ' ' THR . 96.7 m-85 -100.51 158.22 16.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.023 0.412 . . . . 0.0 111.036 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -113.63 122.15 46.32 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 640' ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' A' ' 616' ' ' ILE . 47.0 t -107.45 130.1 60.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.201 0.524 . . . . 0.0 112.146 -179.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 641' ' ' ILE . . . . . 0.552 HG21 HD13 ' A' ' 654' ' ' LEU . 84.2 mt -116.26 123.57 71.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 115.532 -0.758 . . . . 0.0 108.995 178.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 642' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -95.55 117.61 30.74 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.012 0.434 . . . . 0.0 110.437 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . 0.461 HD23 ' HB ' ' B' ' 44' ' ' VAL . 90.2 mt -117.1 144.62 44.48 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.101 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 16.6 m -75.26 152.65 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -78.95 168.25 19.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.373 0.606 . . . . 0.0 112.531 -177.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 91.51 -11.29 72.55 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.173 -0.922 . . . . 0.0 113.047 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -115.18 92.7 4.01 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 73.5 t -68.79 -38.93 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 49.4 mp0 -58.29 -38.45 77.03 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.606 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . 0.448 ' NH1' ' HA ' ' B' ' 22' ' ' VAL . 38.4 mmt180 -63.91 -37.86 88.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.746 0.308 . . . . 0.0 110.189 178.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.72 -42.24 91.29 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 178.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.56 ' HA ' HG23 ' A' ' 655' ' ' THR . 92.2 mt -66.05 -38.87 89.46 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.804 178.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -58.67 -39.65 81.25 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.364 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . 0.802 HD11 HD12 ' B' ' 25' ' ' LEU . 86.7 mt -109.7 29.75 7.31 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.304 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 655' ' ' THR . . . . . 0.56 HG23 ' HA ' ' A' ' 652' ' ' LEU . 0.7 OUTLIER -35.47 103.56 0.24 Allowed Pre-proline 0 N--CA 1.479 1.002 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -178.846 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 656' ' ' PRO . . . . . 0.558 ' HB3' HG23 ' A' ' 617' ' ' VAL . 37.6 Cg_endo -88.06 -175.45 1.38 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.837 3.025 . . . . 0.0 112.99 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.631 HD12 HD11 ' A' ' 721' ' ' LEU . 44.8 pt -82.45 -25.74 8.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.395 0.616 . . . . 0.0 109.622 177.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -152.28 146.93 25.78 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.265 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.732 HG23 HD11 ' A' ' 686' ' ' LEU . 71.3 t -114.34 126.03 71.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.522 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.636 HD23 ' HB2' ' A' ' 689' ' ' PHE . 85.2 mt -105.46 120.51 41.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.534 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 86.7 mt -111.09 118.98 37.49 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . 0.653 ' HB3' ' HB2' ' A' ' 620' ' ' SER . . . -108.49 121.75 45.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.193 0.52 . . . . 0.0 111.566 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -76.43 158.93 80.79 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.029 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 664' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -89.74 161.1 35.91 Favored 'Cis proline' 0 C--N 1.351 0.706 0 C-N-CA 124.242 -1.149 . . . . 0.0 113.603 -0.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 665' ' ' PHE . . . . . 0.414 ' CD1' HG22 ' A' ' 670' ' ' VAL . 84.4 m-85 -112.45 119.23 37.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.914 178.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 78.5 p -99.82 -17.25 17.75 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -107.1 7.38 29.61 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -169.88 167.32 40.43 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.029 -1.081 . . . . 0.0 112.833 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -96.17 133.18 40.79 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.666 -0.124 . . . . 0.0 110.666 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 670' ' ' VAL . . . . . 0.414 HG22 ' CD1' ' A' ' 665' ' ' PHE . 79.2 t -59.63 -46.44 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.291 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -63.83 -38.5 91.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.01 -47.57 85.3 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.498 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 82.7 mt -63.69 -41.24 98.17 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.273 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 71.6 t -62.5 -47.4 93.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-O 120.965 0.412 . . . . 0.0 110.337 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -62.4 -44.06 97.34 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.594 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -63.32 -40.98 98.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.243 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.71 -39.51 93.77 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-O 120.658 0.266 . . . . 0.0 110.642 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -63.35 -38.62 91.86 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.33 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -67.22 -38.28 85.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.197 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -88.78 -36.1 16.28 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -177.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 75.6 m -122.42 140.12 53.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.746 0.308 . . . . 0.0 111.439 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 73.0 p -71.58 150.79 93.67 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -64.21 -27.69 64.43 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.583 2.188 . . . . 0.0 113.131 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 684' ' ' GLU . . . . . 0.411 ' O ' HD13 ' A' ' 724' ' ' LEU . 24.5 pt-20 -76.35 -24.46 54.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.582 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -95.55 -35.9 11.48 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 686' ' ' LEU . . . . . 0.732 HD11 HG23 ' A' ' 659' ' ' VAL . 69.7 tp -126.17 130.2 50.53 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.245 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -103.94 146.25 28.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 688' ' ' ILE . . . . . . . . . . . . . 81.7 mt -120.09 128.5 75.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.092 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 689' ' ' PHE . . . . . 0.636 ' HB2' HD23 ' A' ' 660' ' ' LEU . 95.9 m-85 -125.24 143.03 51.15 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 86.6 mt -120.02 128.92 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.048 0.451 . . . . 0.0 112.215 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 691' ' ' LEU . . . . . 0.487 HD11 ' HE1' ' A' ' 713' ' ' PHE . 4.3 mp -104.64 126.87 52.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.047 178.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 692' ' ' GLY . . . . . 0.561 ' O ' ' HA ' ' A' ' 705' ' ' PRO . . . 147.02 -123.09 1.7 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 119.799 -1.191 . . . . 0.0 113.116 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 63.5 m -119.15 151.38 38.42 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.527 -0.175 . . . . 0.0 110.527 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 64.43 -98.76 0.06 Allowed 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.564 0.54 . . . . 0.0 110.914 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . 82.69 6.56 88.39 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.891 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -82.18 69.34 8.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.023 0.439 . . . . 0.0 110.719 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -125.61 152.94 44.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.601 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -71.72 147.23 47.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.557 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 86.45 3.49 84.2 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.681 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 59.6 t -109.59 120.26 60.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -66.21 -44.99 82.3 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.974 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -158.85 148.7 19.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.67 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -112.93 147.81 36.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.009 0.433 . . . . 0.0 110.874 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 704' ' ' ILE . . . . . 0.485 ' HB ' ' HG ' ' A' ' 691' ' ' LEU . 4.7 mp -118.03 103.07 50.44 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.058 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 705' ' ' PRO . . . . . 0.561 ' HA ' ' O ' ' A' ' 692' ' ' GLY . 70.4 Cg_endo -72.81 147.48 44.54 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.563 2.175 . . . . 0.0 113.476 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . 0.4 HD13 ' HA2' ' A' ' 692' ' ' GLY . 8.4 mp -100.24 151.96 37.68 Favored Pre-proline 0 N--CA 1.464 0.271 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.642 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 707' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -71.49 152.44 96.14 Favored 'Cis proline' 0 C--N 1.352 0.72 0 C-N-CA 123.783 -1.34 . . . . 0.0 112.482 -0.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 708' ' ' ILE . . . . . . . . . . . . . 33.3 pt -107.68 156.02 8.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.366 0.603 . . . . 0.0 111.746 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -110.9 147.87 37.42 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -52.74 -50.99 12.15 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.397 2.065 . . . . 0.0 113.232 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 51.1 mp0 -66.05 -39.72 90.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.408 179.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 68.3 m -63.18 -47.73 81.38 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.668 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 713' ' ' PHE . . . . . 0.487 ' HE1' HD11 ' A' ' 691' ' ' LEU . 84.2 t80 -60.19 -49.36 77.92 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.445 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 62.2 tp -61.44 -43.24 99.21 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -63.58 -41.78 98.35 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.246 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -64.87 -41.63 95.49 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.739 -0.209 . . . . 0.0 110.924 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 717' ' ' VAL . . . . . . . . . . . . . 65.8 t -65.09 -45.27 94.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.566 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 89.3 m -60.72 -46.88 88.72 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.337 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 38.8 mmt -64.28 -39.0 93.03 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.976 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -65.89 -21.99 69.94 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.612 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 721' ' ' LEU . . . . . 0.631 HD11 HD12 ' A' ' 657' ' ' ILE . 0.4 OUTLIER -72.01 -15.92 62.05 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 179.586 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.89 75.8 2.81 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.114 0.483 . . . . 0.0 109.964 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 87.7 p -155.25 170.8 21.02 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.155 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 724' ' ' LEU . . . . . 0.46 ' HG ' ' N ' ' A' ' 725' ' ' ALA . 54.1 tp 63.65 -110.7 0.3 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.55 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 725' ' ' ALA . . . . . 0.46 ' N ' ' HG ' ' A' ' 724' ' ' LEU . . . -102.35 -8.39 21.23 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 51.02 42.99 29.14 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.825 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 59.6 m -126.86 144.29 51.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.797 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -63.23 -40.51 97.66 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.688 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.098 -0.953 . . . . 0.0 110.602 179.893 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 78.3 mtm . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.935 0.398 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . 0.54 ' HB3' ' HD3' ' B' ' 3' ' ' PRO . . . -61.83 -50.42 81.55 Favored Pre-proline 0 CA--C 1.539 0.556 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.758 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.54 ' HD3' ' HB3' ' B' ' 2' ' ' ALA . 49.8 Cg_exo -60.07 139.07 85.72 Favored 'Trans proline' 0 C--N 1.363 1.298 0 C-N-CA 122.072 1.848 . . . . 0.0 112.717 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.586 ' HG ' ' N ' ' B' ' 5' ' ' ARG . 0.1 OUTLIER -147.34 154.42 40.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.01 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.639 ' H ' HG21 ' A' ' 635' ' ' THR . 2.2 mtp180 70.47 15.44 7.23 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.73 0.812 . . . . 0.0 112.109 -178.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -108.2 89.37 2.97 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.826 HG21 ' OG1' ' A' ' 634' ' ' THR . 30.6 p -131.28 159.9 36.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.37 -178.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.57 144.1 26.95 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 66.7 t -117.4 125.67 74.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -178.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 6.4 mp -106.94 130.53 54.58 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.208 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.556 ' HB2' ' HB3' ' B' ' 66' ' ' ALA . 56.7 mtmt -107.52 134.9 49.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.017 0.437 . . . . 0.0 111.299 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.416 ' CD1' HD11 ' B' ' 42' ' ' LEU . 69.1 mt -119.05 118.63 31.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.47 178.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' TYR . . . . . 0.462 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 71.8 m-85 -98.98 117.54 33.72 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 177.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.499 HG12 ' HB3' ' B' ' 63' ' ' PRO . 17.7 m -139.05 173.57 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.171 -177.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.14 127.08 53.77 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.89 69.11 2.71 Favored Glycine 0 CA--C 1.515 0.091 0 C-N-CA 120.798 -0.715 . . . . 0.0 113.451 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -167.68 -50.65 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.595 ' HB ' ' OD1' ' B' ' 20' ' ' ASN . 0.6 OUTLIER -73.22 130.06 85.12 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.606 -178.55 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -55.0 -38.48 93.34 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.121 2.548 . . . . 0.0 113.208 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . 0.595 ' OD1' ' HB ' ' B' ' 18' ' ' THR . 23.3 p-10 -68.05 -24.39 65.07 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.742 0.306 . . . . 0.0 110.735 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 52.7 m -88.07 -39.48 14.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.18 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.448 ' HA ' ' NH1' ' A' ' 650' ' ' ARG . 68.7 t -65.76 -47.24 86.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.319 179.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -73.1 -19.71 61.09 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.135 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.13 81.76 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.066 0.46 . . . . 0.0 110.742 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.839 HD11 HG21 ' B' ' 44' ' ' VAL . 0.8 OUTLIER -61.52 -41.33 97.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.833 178.263 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -63.83 -40.72 97.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.096 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 72.6 p -71.13 -38.28 72.27 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.625 0.25 . . . . 0.0 111.435 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -68.09 -47.17 68.96 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.972 0.415 . . . . 0.0 110.928 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.56 -39.93 95.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.372 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -59.83 -45.31 92.79 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -178.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.643 HD11 ' HG3' ' B' ' 83' ' ' ARG . 96.3 mt -68.8 -44.28 82.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.884 0.373 . . . . 0.0 111.527 -179.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.561 HD21 HD22 ' B' ' 90' ' ' LEU . 81.9 mt -70.77 -37.36 73.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.292 -178.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.53 ' O ' ' HB3' ' B' ' 37' ' ' LYS . 14.3 tm-20 -62.36 -37.38 85.47 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.667 0.618 . . . . 0.0 112.667 -178.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -96.76 -58.02 2.15 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -70.22 -40.77 74.33 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 -176.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -128.9 52.47 1.94 Allowed 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.309 -0.556 . . . . 0.0 112.468 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.53 ' HB3' ' O ' ' B' ' 33' ' ' GLU . 11.8 ptmm? -79.62 139.86 37.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.025 0.44 . . . . 0.0 111.686 -179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.17 -0.21 89.0 Favored Glycine 0 C--N 1.332 0.31 0 CA-C-N 115.866 -0.607 . . . . 0.0 113.228 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 27.5 t -109.04 -41.58 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.917 0.389 . . . . 0.0 111.255 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -117.96 129.79 55.82 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -178.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.1 145.72 26.27 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 176.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.416 HD11 ' CD1' ' B' ' 12' ' ' LEU . 54.0 tp -113.22 131.86 55.73 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -177.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -119.56 130.87 55.37 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.839 HG21 HD11 ' B' ' 25' ' ' LEU . 62.0 t -124.82 130.41 73.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 -178.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.2 mp -119.17 128.75 75.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.059 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -92.39 109.92 21.32 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.663 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 26.7 m -65.93 -20.43 27.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -178.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 99.1 mt -82.33 -14.98 54.45 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.609 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.06 -38.41 9.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.653 0.263 . . . . 0.0 111.049 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.737 ' OD1' ' HG ' ' B' ' 53' ' ' LEU . 8.7 t-20 -135.89 80.47 42.6 Favored Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.72 -35.43 97.7 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.762 2.975 . . . . 0.0 114.531 -178.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 17.0 pm0 -64.07 -24.48 67.72 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.737 ' HG ' ' OD1' ' B' ' 50' ' ' ASN . 86.6 mt -64.65 -40.88 96.22 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.208 178.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.89 -40.43 96.5 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.666 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.49 -37.59 88.07 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.192 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.54 -38.28 89.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.901 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -92.46 7.34 43.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.236 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 64.5 mttp 56.35 40.11 29.89 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 88.1 mt -110.7 118.11 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.331 . . . . 0.0 110.571 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 89.5 mt -112.59 9.57 19.43 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -138.36 150.95 47.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.602 0.239 . . . . 0.0 111.291 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 72.1 p -144.86 153.84 54.5 Favored Pre-proline 0 N--CA 1.465 0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.463 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . 0.69 ' HB2' HD12 ' B' ' 80' ' ' LEU . 11.1 Cg_exo -74.95 142.87 76.06 Favored 'Cis proline' 0 C--N 1.35 0.651 0 C-N-CA 124.369 -1.096 . . . . 0.0 112.949 -1.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 93.7 m -128.37 130.77 48.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.801 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 63.1 tp -101.98 121.81 42.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.663 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . 0.556 ' HB3' ' HB2' ' B' ' 11' ' ' LYS . . . -112.57 131.29 55.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.062 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -95.26 118.32 31.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.233 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.492 HG12 ' HG ' ' B' ' 69' ' ' LEU . 61.6 t -90.71 -53.09 9.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.989 0.423 . . . . 0.0 111.04 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.492 ' HG ' HG12 ' B' ' 68' ' ' VAL . 71.6 mt -132.12 147.08 64.36 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.363 -179.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -81.37 148.28 72.72 Favored 'Cis proline' 0 C--N 1.349 0.592 0 C-N-CA 123.721 -1.366 . . . . 0.0 112.114 -1.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . 0.512 ' HA ' ' C ' ' B' ' 72' ' ' PRO . 72.6 Cg_endo -73.8 163.06 38.05 Favored 'Trans proline' 0 CA--C 1.534 0.495 0 C-N-CA 122.538 2.159 . . . . 0.0 112.137 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' B' ' 71' ' ' PRO . 31.5 Cg_exo -62.04 149.81 59.22 Favored 'Cis proline' 0 C--N 1.354 0.865 0 C-N-CA 124.832 -0.903 . . . . 0.0 113.679 0.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 27.2 m -70.12 150.9 9.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.268 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -132.86 152.91 51.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.351 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 -117.52 127.34 53.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.099 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 81.9 mt -118.87 119.43 60.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.919 0.39 . . . . 0.0 110.633 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 82.5 mt -120.92 125.89 74.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.947 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 174.39 -167.62 40.04 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.388 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -84.82 103.96 14.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.73 0.3 . . . . 0.0 110.587 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.69 HD12 ' HB2' ' B' ' 63' ' ' PRO . 96.6 mt -85.97 -7.33 58.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.547 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 73.9 m -66.11 -31.71 72.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.063 0.459 . . . . 0.0 110.264 178.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -82.48 111.46 18.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.133 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . 0.643 ' HG3' HD11 ' B' ' 31' ' ' ILE . 44.6 ttm180 -60.38 -36.82 78.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.577 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -53.37 -55.23 26.68 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -63.94 -39.25 93.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.174 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 74.6 t -62.28 -44.99 99.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.856 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 7.4 tt -63.26 -42.04 99.11 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 85.2 mt -61.44 -47.51 93.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.351 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.07 -44.03 96.93 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.696 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.561 HD22 HD21 ' B' ' 32' ' ' LEU . 76.3 mt -67.03 -38.33 85.71 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.102 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -61.07 -41.87 97.44 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.784 0.326 . . . . 0.0 110.467 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.93 -39.96 96.18 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.283 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.95 -38.68 91.97 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.602 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.11 -42.24 98.16 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.713 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.6 -39.71 94.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.666 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.79 -41.43 95.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.791 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 18.3 tt -75.81 -32.88 24.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.015 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -63.73 -38.13 95.73 Favored Glycine 0 C--N 1.336 0.552 0 C-N-CA 121.268 -0.491 . . . . 0.0 112.777 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -85.89 73.05 10.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.039 0.447 . . . . 0.0 110.624 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -134.32 129.24 35.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.497 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -124.07 146.03 48.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.591 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -89.6 109.08 20.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.197 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 32.0 t0 57.7 51.25 9.62 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 123.638 0.586 . . . . 0.0 111.944 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -63.32 -40.28 96.87 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.814 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 31.8 t70 71.39 -61.91 0.47 Allowed 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 115.714 -0.676 . . . . 0.0 112.086 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 63.5 mttp . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.344 -0.836 . . . . 0.0 111.027 -179.573 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . 0.583 ' HA ' ' OE2' ' B' ' 33' ' ' GLU . 45.7 mt-10 . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 121.084 0.469 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . -83.23 68.17 3.61 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.958 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 39.4 ptt180 -97.65 143.43 28.32 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.146 0.498 . . . . 0.0 110.832 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.574 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 95.0 mt -129.41 133.95 64.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.168 -178.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 99.1 t -107.53 124.92 63.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.088 0.47 . . . . 0.0 110.054 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 59.8 tp -105.85 125.17 50.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.839 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 619' ' ' VAL . . . . . 0.403 ' HB ' HD23 ' A' ' 661' ' ' LEU . 62.0 t -114.67 117.7 56.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.012 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . 0.576 ' HB3' ' HB3' ' A' ' 662' ' ' ALA . 90.5 p -160.52 162.61 33.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.414 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -99.37 -11.97 20.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.815 0.34 . . . . 0.0 110.911 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -98.39 110.82 23.34 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.943 0.401 . . . . 0.0 111.283 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.5 -37.92 89.16 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -60.36 -44.79 95.25 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . 0.423 ' O ' HG12 ' A' ' 629' ' ' ILE . 93.9 m -65.68 -42.09 91.66 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.068 0.461 . . . . 0.0 110.158 178.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 46.9 t -61.03 -42.53 98.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.712 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 89.5 m -59.89 -44.95 93.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.531 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 63.5 tp -65.3 -46.36 80.66 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.962 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 629' ' ' ILE . . . . . 0.423 HG12 ' O ' ' A' ' 625' ' ' THR . 40.4 mm -62.43 -45.52 98.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.709 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 96.8 m -61.91 -42.48 99.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.746 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 70.8 m -64.14 -41.52 97.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.383 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.07 -50.68 79.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-O 120.869 0.366 . . . . 0.0 111.646 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 633' ' ' LEU . . . . . 0.664 HD21 HG11 ' A' ' 717' ' ' VAL . 83.9 mt -73.29 -40.34 64.61 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . 0.732 ' HB ' HG21 ' B' ' 7' ' ' THR . 87.1 m -65.21 -41.42 94.51 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -178.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 635' ' ' THR . . . . . . . . . . . . . 31.6 m -61.83 -38.09 86.87 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 121.141 0.496 . . . . 0.0 110.206 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -70.11 -8.28 48.33 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.287 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 107.87 9.98 27.36 Favored Glycine 0 C--N 1.333 0.4 0 C-N-CA 120.467 -0.873 . . . . 0.0 114.001 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 638' ' ' TYR . . . . . 0.648 ' O ' ' HA ' ' A' ' 634' ' ' THR . 96.9 m-85 -99.42 151.58 20.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 117.226 0.513 . . . . 0.0 110.656 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -101.82 108.15 19.56 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 640' ' ' VAL . . . . . 0.574 ' HA ' ' O ' ' A' ' 616' ' ' ILE . 59.1 t -107.36 128.7 62.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -178.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 641' ' ' ILE . . . . . 0.472 HG21 HD13 ' A' ' 654' ' ' LEU . 85.5 mt -118.32 124.7 73.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.139 -0.937 . . . . 0.0 108.578 177.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 642' ' ' TRP . . . . . . . . . . . . . 76.2 t90 -92.49 122.61 35.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.809 0.338 . . . . 0.0 110.58 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 643' ' ' LEU . 0.4 OUTLIER -118.09 144.6 45.49 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.507 179.862 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 13.0 m -75.52 152.53 6.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -75.6 161.92 28.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.29 0.566 . . . . 0.0 112.474 -177.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 91.0 -8.31 79.97 Favored Glycine 0 C--N 1.334 0.459 0 CA-C-N 115.327 -0.851 . . . . 0.0 113.666 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -114.24 91.09 3.51 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 72.0 t -70.36 -39.86 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.141 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 49.3 mp0 -58.91 -38.45 78.93 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.591 0.234 . . . . 0.0 110.555 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . 0.487 HH11 HD12 ' B' ' 25' ' ' LEU . 5.2 mmp_? -64.24 -38.23 90.31 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 178.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -67.74 -40.72 84.11 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.092 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.67 ' HA ' HG23 ' A' ' 655' ' ' THR . 67.8 tp -63.9 -42.61 97.39 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.772 179.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -59.3 -38.63 80.7 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.674 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . 0.472 HD13 HG21 ' A' ' 641' ' ' ILE . 92.5 mt -108.79 29.43 7.46 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 655' ' ' THR . . . . . 0.67 HG23 ' HA ' ' A' ' 652' ' ' LEU . 0.8 OUTLIER -43.41 105.18 0.41 Allowed Pre-proline 0 N--CA 1.477 0.886 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 -178.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 656' ' ' PRO . . . . . 0.463 ' HD2' HD11 ' A' ' 686' ' ' LEU . 43.2 Cg_endo -87.76 -169.77 0.5 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 123.747 2.964 . . . . 0.0 112.479 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 49.2 pt -80.22 -26.22 11.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.332 0.587 . . . . 0.0 109.786 177.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -158.09 154.33 27.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.927 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.401 HG13 HD21 ' A' ' 686' ' ' LEU . 30.2 m -121.7 148.19 25.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.869 0.366 . . . . 0.0 111.093 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.671 HD23 ' HB2' ' A' ' 689' ' ' PHE . 83.9 mt -118.59 124.76 48.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.533 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . 0.717 ' HB2' HG22 ' A' ' 690' ' ' ILE . 82.7 mt -108.97 119.92 40.99 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . 0.576 ' HB3' ' HB3' ' A' ' 620' ' ' SER . . . -118.22 152.8 34.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.334 0.588 . . . . 0.0 112.27 -178.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -73.47 155.36 89.56 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.179 -0.918 . . . . 0.0 110.966 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 664' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -89.98 146.64 19.61 Favored 'Cis proline' 0 C--N 1.347 0.499 0 C-N-CA 123.957 -1.268 . . . . 0.0 113.25 -1.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -116.71 79.23 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.866 0.365 . . . . 0.0 110.217 178.02 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 78.8 p -98.78 -20.03 17.12 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -102.24 1.73 36.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.69 0.281 . . . . 0.0 111.687 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -148.81 145.03 12.94 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.392 -0.909 . . . . 0.0 112.533 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -96.01 120.97 37.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.502 0.191 . . . . 0.0 110.596 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 59.6 t -59.71 -45.08 94.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.87 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -62.51 -39.97 95.24 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.68 0.276 . . . . 0.0 111.221 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . 0.412 ' HG3' HE21 ' A' ' 676' ' ' GLN . 53.1 tp10 -63.32 -41.7 98.94 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.793 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.24 -41.64 99.12 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.981 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . 0.656 HG11 ' HA3' ' A' ' 699' ' ' GLY . 71.7 t -61.75 -44.96 99.55 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.902 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -59.8 -44.72 93.84 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.867 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . 0.412 HE21 ' HG3' ' A' ' 672' ' ' GLU . 56.3 mt-30 -69.81 -40.84 75.69 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 87.2 mt -65.55 -39.76 92.07 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -67.59 -16.54 64.23 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -87.39 -10.48 51.94 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.703 0.287 . . . . 0.0 110.83 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -104.85 -39.09 6.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.939 0.4 . . . . 0.0 110.953 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 72.2 m -127.27 148.72 50.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.606 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 48.2 p -73.8 158.33 86.18 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.438 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -54.77 -38.8 91.76 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.653 2.235 . . . . 0.0 113.513 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -77.12 -27.1 53.86 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.046 -0.261 . . . . 0.0 111.291 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -72.23 -38.3 68.99 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.888 0.375 . . . . 0.0 111.487 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 686' ' ' LEU . . . . . 0.463 HD11 ' HD2' ' A' ' 656' ' ' PRO . 4.1 tt -146.79 132.28 18.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.385 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -112.65 148.5 34.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.726 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 688' ' ' ILE . . . . . 0.591 HG21 HG22 ' A' ' 674' ' ' VAL . 26.2 mm -102.2 123.8 55.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.536 -179.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 689' ' ' PHE . . . . . 0.671 ' HB2' HD23 ' A' ' 660' ' ' LEU . 94.3 m-85 -125.24 140.77 52.55 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 179.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 690' ' ' ILE . . . . . 0.717 HG22 ' HB2' ' A' ' 661' ' ' LEU . 46.0 pt -127.69 145.0 35.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.189 0.519 . . . . 0.0 111.872 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 691' ' ' LEU . . . . . 0.563 HD11 ' HE1' ' A' ' 713' ' ' PHE . 5.6 mp -99.0 119.52 37.92 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 93.63 163.35 36.49 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.712 -0.756 . . . . 0.0 111.728 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 54.0 m -130.74 130.71 44.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 117.152 0.476 . . . . 0.0 111.508 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 31.8 mmtm -121.59 -7.02 9.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.791 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . 163.82 -166.57 37.51 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.657 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -87.02 104.51 16.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.843 0.354 . . . . 0.0 110.333 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 13.5 m-30 -106.21 131.74 53.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.759 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -91.72 148.96 21.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.645 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 699' ' ' GLY . . . . . 0.656 ' HA3' HG11 ' A' ' 674' ' ' VAL . . . 91.55 -5.01 80.16 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 120.646 -0.787 . . . . 0.0 113.058 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 700' ' ' VAL . . . . . 0.552 HG11 HG12 ' A' ' 690' ' ' ILE . 62.1 t -93.57 118.38 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -66.97 -43.0 84.18 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.917 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 702' ' ' ARG . . . . . 0.489 ' HD3' HE21 ' A' ' 716' ' ' GLN . 37.4 ttm180 -156.92 148.5 22.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.814 -179.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -120.23 149.46 42.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.793 0.33 . . . . 0.0 110.505 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 5.9 mm -104.01 109.73 62.86 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -60.17 142.96 99.46 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 123.013 2.475 . . . . 0.0 113.063 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . 0.819 HD23 HG23 ' A' ' 708' ' ' ILE . 95.7 mt -106.93 150.19 39.47 Favored Pre-proline 0 C--O 1.233 0.186 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.524 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 707' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -74.81 158.1 99.15 Favored 'Cis proline' 0 C--N 1.351 0.703 0 C-N-CA 123.891 -1.295 . . . . 0.0 112.74 -0.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 708' ' ' ILE . . . . . 0.819 HG23 HD23 ' A' ' 706' ' ' LEU . 43.6 pt -107.4 156.94 7.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.431 0.634 . . . . 0.0 111.706 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -118.29 151.88 49.97 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -51.5 -51.37 11.34 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.204 1.936 . . . . 0.0 113.248 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 52.4 mp0 -68.11 -39.72 82.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.358 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 67.8 m -62.67 -47.58 83.05 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.454 -178.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 713' ' ' PHE . . . . . 0.563 ' HE1' HD11 ' A' ' 691' ' ' LEU . 85.7 t80 -60.28 -49.02 79.25 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.868 178.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 62.7 tp -61.28 -46.42 90.42 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.117 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -65.47 -41.28 93.52 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.478 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 716' ' ' GLN . . . . . 0.489 HE21 ' HD3' ' A' ' 702' ' ' ARG . 69.3 tp60 -66.88 -42.78 85.02 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.471 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 717' ' ' VAL . . . . . 0.664 HG11 HD21 ' A' ' 633' ' ' LEU . 6.2 p -70.87 -33.72 53.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 97.9 m -60.58 -45.4 94.09 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.611 0.244 . . . . 0.0 110.962 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 63.2 mtt -61.28 -41.08 96.34 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.301 178.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -64.56 -40.93 98.01 Favored Glycine 0 CA--C 1.52 0.383 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.69 178.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 98.1 mt -65.74 -39.24 90.9 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 70.8 p -67.35 -20.68 65.61 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.651 0.262 . . . . 0.0 111.689 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 74.3 m -64.57 -39.47 93.8 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 120.956 0.407 . . . . 0.0 110.225 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 724' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.31 -46.96 84.26 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.022 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -157.11 149.12 22.69 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.65 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 11.1 t -149.24 154.98 39.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.769 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 63.3 m -71.07 146.2 49.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.914 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -147.05 153.11 39.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.705 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.092 -0.956 . . . . 0.0 110.722 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.1 mtt . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.954 0.407 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.95 121.05 73.04 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -76.95 63.65 7.62 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.89 2.393 . . . . 0.0 112.943 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.3 mp -110.01 173.41 6.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.655 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? 65.44 31.78 10.03 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.667 0.604 . . . . 0.0 111.385 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.42 89.43 3.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.406 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.732 HG21 ' HB ' ' A' ' 634' ' ' THR . 44.5 p -129.37 159.22 36.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.762 0.315 . . . . 0.0 110.895 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.423 ' HB1' ' O ' ' B' ' 69' ' ' LEU . . . -97.28 147.8 23.78 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 178.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.757 HG11 ' HE2' ' B' ' 43' ' ' LYS . 62.2 t -122.71 128.24 75.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -177.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 81.3 mt -109.33 141.22 41.98 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.896 178.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.692 ' HB2' ' HB3' ' B' ' 66' ' ' ALA . 59.5 mttp -107.97 136.98 46.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.909 0.385 . . . . 0.0 111.033 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.622 HD22 HD22 ' B' ' 28' ' ' LEU . 62.7 tp -128.58 122.65 31.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.263 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' TYR . . . . . 0.471 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 96.4 m-85 -101.91 123.08 45.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.777 178.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.645 HG12 ' HB3' ' B' ' 63' ' ' PRO . 21.9 m -139.84 173.17 11.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-O 121.094 0.474 . . . . 0.0 111.597 -178.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -123.75 126.06 45.84 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.492 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.89 70.94 2.82 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.693 -0.765 . . . . 0.0 113.083 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -145.8 -74.96 0.22 Allowed 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.457 ' O ' HG23 ' B' ' 22' ' ' VAL . 80.7 p -74.05 148.79 87.01 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.806 -0.179 . . . . 0.0 111.296 -178.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.484 ' HA ' ' HB ' ' B' ' 22' ' ' VAL . 28.4 Cg_endo -62.01 -26.83 78.86 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.485 2.123 . . . . 0.0 112.155 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -62.4 -38.35 89.32 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.157 0.503 . . . . 0.0 109.84 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 61.6 m -86.5 -37.28 18.39 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.392 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.484 ' HB ' ' HA ' ' B' ' 19' ' ' PRO . 53.0 t -63.57 -49.07 84.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.905 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -73.8 -17.86 61.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.22 -0.446 . . . . 0.0 112.185 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.22 -41.38 88.54 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 121.346 -0.142 . . . . 0.0 110.699 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.487 HD12 HH11 ' A' ' 650' ' ' ARG . 77.4 mt -63.24 -41.66 99.11 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 120.846 0.355 . . . . 0.0 110.716 178.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.27 -41.42 96.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.557 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 89.1 m -65.53 -46.76 78.33 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.382 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.622 HD22 HD22 ' B' ' 12' ' ' LEU . 2.9 mp -68.67 -38.54 80.47 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.667 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.92 -42.06 97.35 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.745 -0.207 . . . . 0.0 111.146 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -62.01 -45.49 93.37 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.016 0.436 . . . . 0.0 110.846 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.737 HD11 ' HG3' ' B' ' 83' ' ' ARG . 91.0 mt -65.89 -45.33 91.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.632 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.658 HD12 ' HB2' ' B' ' 36' ' ' PHE . 61.8 tp -66.64 -41.62 87.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.043 -179.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.583 ' OE2' ' HA ' ' A' ' 613' ' ' GLU . 88.8 tt0 -62.36 -39.43 93.11 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -179.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.62 -61.57 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 113.291 0.848 . . . . 0.0 113.291 -178.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -66.63 -39.54 88.34 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -177.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . 0.658 ' HB2' HD12 ' B' ' 32' ' ' LEU . 91.1 m-85 -117.5 40.6 3.02 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -177.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.509 ' HB2' ' O ' ' B' ' 33' ' ' GLU . 65.4 tttm -64.99 123.92 20.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.892 0.377 . . . . 0.0 111.111 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.58 17.34 79.91 Favored Glycine 0 C--N 1.334 0.443 0 CA-C-N 115.998 -0.546 . . . . 0.0 113.591 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 9.2 t -118.24 -48.19 3.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -179.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . 0.479 ' HB2' HD11 ' B' ' 32' ' ' LEU . 83.1 m-85 -125.33 142.64 51.38 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -178.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.88 146.43 30.99 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 176.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.434 HD11 ' HB2' ' B' ' 12' ' ' LEU . 62.6 tp -116.48 124.48 50.05 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -177.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.757 ' HE2' HG11 ' B' ' 9' ' ' VAL . 68.4 mttm -99.26 131.02 45.58 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 176.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.414 ' HB ' HD22 ' A' ' 643' ' ' LEU . 62.1 t -121.38 127.29 75.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.132 0.491 . . . . 0.0 112.216 -178.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.4 mp -121.87 130.76 74.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.828 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -88.05 107.98 19.01 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.784 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.551 HG21 HG21 ' B' ' 62' ' ' THR . 35.9 m -85.19 -7.3 10.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.24 -50.88 62.24 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 111.59 0.219 . . . . 0.0 111.59 -179.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -71.15 -38.32 72.22 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.524 ' OD1' ' HG2' ' B' ' 52' ' ' GLN . 61.7 t30 -129.53 90.27 44.55 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -66.25 -21.29 55.03 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.162 2.575 . . . . 0.0 114.727 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.524 ' HG2' ' OD1' ' B' ' 50' ' ' ASN . 25.3 pt20 -66.55 -21.55 66.15 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.469 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.77 -40.83 97.64 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.831 0.348 . . . . 0.0 110.413 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.24 -40.51 96.18 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.753 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -62.86 -36.42 83.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.107 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.98 -38.18 90.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.419 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -100.56 18.68 18.55 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm 56.36 45.61 22.51 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 51.0 mm -104.77 118.67 52.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.129 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 89.9 mt -104.21 -10.16 18.11 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -150.65 151.81 33.05 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . 0.551 HG21 HG21 ' B' ' 47' ' ' VAL . 76.2 p -133.03 154.21 81.25 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.183 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . 0.645 ' HB3' HG12 ' B' ' 14' ' ' VAL . 60.1 Cg_endo -71.31 150.8 94.29 Favored 'Cis proline' 0 C--N 1.353 0.766 0 C-N-CA 123.931 -1.279 . . . . 0.0 113.151 -0.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.06 134.74 40.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.788 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 72.5 mt -102.44 125.7 49.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.609 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . 0.692 ' HB3' ' HB2' ' B' ' 11' ' ' LYS . . . -111.92 126.54 55.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.857 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.466 ' HE2' ' O ' ' B' ' 70' ' ' PRO . 87.2 tttt -91.68 122.26 34.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.127 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.413 HG12 ' HG ' ' B' ' 69' ' ' LEU . 22.0 t -108.72 -60.59 2.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.992 0.425 . . . . 0.0 110.298 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.423 ' O ' ' HB1' ' B' ' 8' ' ' ALA . 82.4 mt -134.54 144.38 50.65 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.212 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . 0.466 ' O ' ' HE2' ' B' ' 67' ' ' LYS . 13.0 Cg_exo -72.9 154.63 99.49 Favored 'Cis proline' 0 C--N 1.349 0.568 0 C-N-CA 124.154 -1.186 . . . . 0.0 111.945 -2.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -73.8 165.54 31.96 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 122.63 2.22 . . . . 0.0 112.027 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -73.31 161.03 94.86 Favored 'Cis proline' 0 C--N 1.355 0.9 0 C-N-CA 124.492 -1.045 . . . . 0.0 114.103 1.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 33.8 m -83.86 151.54 3.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.449 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.415 ' HG2' ' HD3' ' B' ' 67' ' ' LYS . 16.8 ptm180 -157.6 163.19 38.56 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.531 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 89.2 mmt-85 -119.3 136.03 54.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.417 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 80.7 mt -115.35 122.01 68.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.799 0.333 . . . . 0.0 110.522 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 80.1 mt -117.43 124.7 73.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.231 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 177.06 -176.93 48.26 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.348 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -87.79 107.67 18.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.701 0.286 . . . . 0.0 110.274 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.611 HD12 ' HB2' ' B' ' 63' ' ' PRO . 93.2 mt -89.24 2.94 53.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.056 -179.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 68.5 m -64.07 -33.13 75.05 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.095 0.474 . . . . 0.0 110.412 178.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -84.19 118.68 24.3 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.347 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . 0.737 ' HG3' HD11 ' B' ' 31' ' ' ILE . 62.1 ttp180 -60.11 -35.68 75.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.009 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -58.63 -48.24 81.7 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.52 0.2 . . . . 0.0 111.503 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -63.87 -40.41 96.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.144 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 92.0 t -62.13 -47.09 94.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.51 ' O ' ' HB2' ' B' ' 91' ' ' ARG . 19.9 mt -63.8 -43.31 96.67 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 178.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 78.6 mt -61.47 -48.23 89.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.616 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.55 -41.88 68.56 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 11.9 tp -72.34 -35.97 68.71 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -178.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.51 ' HB2' ' O ' ' B' ' 87' ' ' LEU . 9.4 tpt180 -59.03 -27.67 65.69 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.811 0.339 . . . . 0.0 111.702 -178.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 89.2 mt -60.53 -34.54 74.27 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.198 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.768 ' O ' ' HG2' ' B' ' 96' ' ' GLU . 86.0 mt -60.91 -34.87 75.33 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.723 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.54 ' O ' HG22 ' B' ' 97' ' ' ILE . . . -60.73 -37.08 80.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.875 0.369 . . . . 0.0 111.944 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -60.82 -38.99 87.33 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . 0.768 ' HG2' ' O ' ' B' ' 93' ' ' LEU . 23.5 pt-20 -63.21 -20.71 65.67 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -177.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.54 HG22 ' O ' ' B' ' 94' ' ' ALA . 7.1 tp -68.59 -23.94 28.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 111.119 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -80.15 -9.83 86.17 Favored Glycine 0 C--N 1.334 0.433 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.682 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -86.71 72.66 10.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.928 0.394 . . . . 0.0 110.549 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -135.41 128.34 31.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.651 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -136.11 131.7 35.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.154 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -86.11 107.83 18.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.542 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -153.57 157.77 40.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.246 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 30.0 t0 56.36 45.54 22.64 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.583 0.552 . . . . 0.0 111.258 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -91.12 102.34 15.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.58 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.779 179.948 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.92 0.391 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 614' ' ' GLY . . . . . 0.437 ' HA3' HD13 ' A' ' 657' ' ' ILE . . . -137.7 152.49 21.69 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.553 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -86.16 137.17 32.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.028 0.442 . . . . 0.0 111.304 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.711 HG21 HD13 ' A' ' 633' ' ' LEU . 23.7 mm -120.19 127.64 75.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.246 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 617' ' ' VAL . . . . . 0.631 HG23 ' HB3' ' A' ' 656' ' ' PRO . 85.4 t -115.28 122.63 69.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.032 0.444 . . . . 0.0 109.873 178.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 56.6 tp -110.76 124.59 52.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.615 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 619' ' ' VAL . . . . . 0.4 ' HB ' HD23 ' A' ' 661' ' ' LEU . 57.4 t -109.19 113.99 45.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 46.4 t -158.1 148.38 20.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.732 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 48.5 mp0 -86.11 -10.82 54.17 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.802 0.334 . . . . 0.0 110.374 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -95.16 108.0 20.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.248 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 50.6 mp0 -63.27 -37.76 88.52 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.304 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -60.86 -42.35 97.7 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 90.0 m -64.0 -44.72 91.77 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.037 0.446 . . . . 0.0 110.388 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 66.2 m -63.53 -40.85 98.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.389 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 88.5 m -63.84 -43.38 96.35 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 63.0 tp -60.78 -49.65 76.63 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.922 0.392 . . . . 0.0 110.871 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 629' ' ' ILE . . . . . 0.594 ' HA ' HD12 ' A' ' 632' ' ' ILE . 73.8 mt -66.42 -33.98 67.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.714 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 28.3 t -49.68 -51.43 38.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.018 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 87.9 p -67.41 -33.19 74.67 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 120.842 0.353 . . . . 0.0 110.761 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 632' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 629' ' ' ILE . 79.9 mt -61.59 -48.69 87.61 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.145 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 633' ' ' LEU . . . . . 0.711 HD13 HG21 ' A' ' 616' ' ' ILE . 25.2 mt -87.71 -38.05 16.16 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . 0.667 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 87.9 m -62.72 -46.57 87.47 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -177.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 635' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.5 -13.57 61.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.826 0.346 . . . . 0.0 111.508 -179.078 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -83.13 0.02 47.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.139 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 100.56 -1.54 55.74 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.609 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 638' ' ' TYR . . . . . 0.667 ' O ' ' HA ' ' A' ' 634' ' ' THR . 94.8 m-85 -99.73 153.6 18.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.861 0.362 . . . . 0.0 110.681 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -92.78 142.29 27.5 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 640' ' ' VAL . . . . . . . . . . . . . 94.9 t -124.76 123.99 67.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 641' ' ' ILE . . . . . 0.689 HG21 HD13 ' A' ' 654' ' ' LEU . 85.4 mt -126.25 125.83 68.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.26 177.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 642' ' ' TRP . . . . . . . . . . . . . 46.8 t90 -98.98 115.59 29.26 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.97 0.414 . . . . 0.0 110.453 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.95 136.95 45.93 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 6.2 m -75.89 152.1 6.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.997 0.427 . . . . 0.0 109.997 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -64.03 140.12 58.84 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -177.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 104.0 -5.58 46.45 Favored Glycine 0 C--N 1.341 0.809 0 N-CA-C 115.654 1.021 . . . . 0.0 115.654 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -114.5 88.85 2.95 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 118.624 1.212 . . . . 0.0 112.701 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 77.1 t -70.92 -42.86 77.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.19 -38.01 81.98 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.021 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -63.35 -36.47 83.81 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 177.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.98 -41.1 97.64 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 99.7 mt -68.34 -38.2 81.25 Favored 'General case' 0 C--O 1.228 -0.067 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.514 178.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -58.65 -38.25 77.71 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.044 179.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . 0.689 HD13 HG21 ' A' ' 641' ' ' ILE . 86.8 mt -108.34 29.4 7.39 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.365 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 655' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -29.8 102.73 0.18 Allowed Pre-proline 0 N--CA 1.479 0.976 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -178.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 656' ' ' PRO . . . . . 0.631 ' HB3' HG23 ' A' ' 617' ' ' VAL . 45.2 Cg_endo -86.59 173.84 6.11 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 123.551 2.834 . . . . 0.0 112.551 179.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.437 HD13 ' HA3' ' A' ' 614' ' ' GLY . 46.0 pt -79.48 -21.26 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.54 0.686 . . . . 0.0 109.325 177.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -153.55 146.68 24.63 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.362 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.446 HG23 HD11 ' A' ' 686' ' ' LEU . 64.3 t -114.91 127.05 72.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.359 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.666 HD23 ' HB2' ' A' ' 689' ' ' PHE . 70.8 mt -105.96 118.23 36.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.311 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . 0.4 HD23 ' HB ' ' A' ' 619' ' ' VAL . 85.3 mt -112.77 129.09 56.55 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -111.13 132.09 54.57 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -91.14 154.78 44.96 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.092 178.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 664' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -81.99 170.39 59.71 Favored 'Cis proline' 0 C--N 1.351 0.682 0 C-N-CA 124.49 -1.046 . . . . 0.0 113.14 -0.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -101.09 132.88 46.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.781 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 81.6 p -71.78 -38.98 70.22 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -140.75 -64.88 0.45 Allowed 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -68.34 137.21 30.86 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.324 -179.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 669' ' ' ASP . . . . . 0.467 ' OD2' ' HB2' ' A' ' 671' ' ' GLN . 38.5 t70 -74.27 132.95 42.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.571 0.224 . . . . 0.0 111.296 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 670' ' ' VAL . . . . . 0.418 ' O ' HG23 ' A' ' 674' ' ' VAL . 62.2 t -60.43 -44.41 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.059 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 671' ' ' GLN . . . . . 0.467 ' HB2' ' OD2' ' A' ' 669' ' ' ASP . 97.5 mt-30 -62.85 -38.04 89.21 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.954 0.407 . . . . 0.0 110.211 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.48 -44.12 96.26 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.283 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.98 -40.81 97.24 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.348 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . 0.633 HG22 HG21 ' A' ' 688' ' ' ILE . 75.6 t -61.79 -46.63 96.11 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.454 179.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -61.07 -43.69 98.5 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.193 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.67 -44.96 84.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.724 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.6 -39.9 95.55 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -62.16 -39.01 91.18 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.896 0.379 . . . . 0.0 111.302 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -65.15 -36.41 84.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.913 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 13.5 mmp_? -86.92 -40.67 14.61 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -178.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 77.0 m -125.13 135.12 52.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.7 0.286 . . . . 0.0 111.407 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 81.0 p -72.04 151.1 92.69 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.836 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 683' ' ' PRO . . . . . 0.446 ' HA ' ' O ' ' A' ' 686' ' ' LEU . 28.1 Cg_endo -62.81 -24.96 74.54 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.711 2.274 . . . . 0.0 113.605 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -73.34 -25.48 60.63 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 121.054 -0.258 . . . . 0.0 111.07 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -98.28 -35.54 10.3 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.842 0.353 . . . . 0.0 111.013 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 686' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 656' ' ' PRO . 1.8 tt -134.25 130.23 36.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.133 179.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -106.94 148.48 28.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.174 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 688' ' ' ILE . . . . . 0.633 HG21 HG22 ' A' ' 674' ' ' VAL . 72.6 mt -112.68 125.53 69.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.517 -179.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 689' ' ' PHE . . . . . 0.666 ' HB2' HD23 ' A' ' 660' ' ' LEU . 98.9 m-85 -120.79 140.19 52.06 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 91.7 mt -119.18 128.02 75.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.19 0.519 . . . . 0.0 111.163 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 691' ' ' LEU . . . . . 0.506 ' HG ' ' HB ' ' A' ' 704' ' ' ILE . 5.9 mp -90.38 117.19 28.91 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 130.58 -89.27 0.29 Allowed Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.301 -0.952 . . . . 0.0 112.938 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 88.8 p -137.89 162.04 35.05 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 120.861 0.362 . . . . 0.0 111.607 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . 0.484 ' HB2' ' HB3' ' A' ' 703' ' ' TYR . 87.1 tttt -138.02 134.36 34.7 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.134 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . 161.19 172.68 28.85 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.599 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 70.2 -44.9 0.58 Allowed 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -122.68 128.93 51.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.119 0.485 . . . . 0.0 111.854 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 -87.26 159.35 18.84 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.892 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 120.3 6.07 10.03 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.41 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 700' ' ' VAL . . . . . 0.42 ' HB ' ' HE3' ' A' ' 694' ' ' LYS . 58.0 t -107.37 125.08 63.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -65.02 -45.8 83.98 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -178.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -163.63 155.96 17.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.678 0.275 . . . . 0.0 111.153 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 703' ' ' TYR . . . . . 0.484 ' HB3' ' HB2' ' A' ' 694' ' ' LYS . 36.2 p90 -116.98 150.2 38.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.631 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 704' ' ' ILE . . . . . 0.506 ' HB ' ' HG ' ' A' ' 691' ' ' LEU . 26.7 mm -104.03 110.97 64.95 Favored Pre-proline 0 C--N 1.328 -0.347 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -61.2 147.23 96.2 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.183 2.589 . . . . 0.0 112.916 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . 0.566 ' HA ' ' C ' ' A' ' 707' ' ' PRO . 95.9 mt -115.18 152.5 46.81 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.209 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 707' ' ' PRO . . . . . 0.566 ' C ' ' HA ' ' A' ' 706' ' ' LEU . 36.1 Cg_exo -60.67 147.29 45.46 Favored 'Cis proline' 0 C--N 1.354 0.819 0 C-N-CA 124.362 -1.099 . . . . 0.0 113.218 0.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 708' ' ' ILE . . . . . . . . . . . . . 13.4 tt -77.94 131.91 33.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.879 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -115.17 142.61 28.85 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -54.33 -55.68 3.17 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.889 2.393 . . . . 0.0 114.055 -178.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 49.9 mp0 -63.58 -39.58 94.76 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.028 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 70.0 m -63.91 -47.29 81.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.371 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 713' ' ' PHE . . . . . 0.433 ' HZ ' HD13 ' A' ' 660' ' ' LEU . 86.5 t80 -60.49 -50.23 74.4 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.364 179.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 61.5 tp -62.79 -43.13 99.61 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -62.11 -44.37 96.8 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 111.606 0.224 . . . . 0.0 111.606 -179.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -66.86 -40.58 87.91 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.569 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 717' ' ' VAL . . . . . . . . . . . . . 56.6 t -64.39 -45.18 96.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-O 120.642 0.258 . . . . 0.0 110.929 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 89.4 m -60.65 -47.38 86.51 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.244 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 96.3 mmm -64.3 -39.6 94.24 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.808 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -62.83 -39.88 98.54 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.271 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 98.3 mt -76.98 -10.27 59.26 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 95.6 m -62.12 -42.43 99.23 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 120.819 0.343 . . . . 0.0 110.326 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 74.1 m -62.06 -37.83 86.46 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.74 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 724' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.56 -21.8 66.54 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.208 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . 74.7 61.05 0.07 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.505 0.722 . . . . 0.0 111.576 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 12.3 t -142.14 154.63 45.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.916 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 47.9 t -146.17 145.88 30.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.617 0.246 . . . . 0.0 110.901 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.3 95.89 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.501 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.32 -0.848 . . . . 0.0 110.646 -179.946 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 121.056 0.455 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.06 117.72 67.84 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -78.34 61.08 7.73 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.835 2.357 . . . . 0.0 113.085 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mp -88.37 83.52 6.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.017 0.437 . . . . 0.0 110.716 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.434 ' O ' ' HB2' ' B' ' 6' ' ' LYS . 10.4 mpt_? -126.33 -158.61 0.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.966 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' B' ' 5' ' ' ARG . 2.0 mppt? 73.44 73.77 0.13 Allowed 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.749 0.656 . . . . 0.0 112.513 178.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.491 HG21 ' HB ' ' A' ' 634' ' ' THR . 63.9 p -124.52 156.91 36.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.567 179.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.61 139.06 34.07 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 62.8 t -116.92 121.15 67.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.24 0.543 . . . . 0.0 111.813 -178.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.444 HD21 HD11 ' B' ' 90' ' ' LEU . 4.7 mp -103.59 124.72 49.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.685 178.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.581 ' HB2' ' HB3' ' B' ' 66' ' ' ALA . 51.4 mtpt -102.14 138.9 38.47 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.0 0.429 . . . . 0.0 110.74 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.517 HD23 HG13 ' B' ' 14' ' ' VAL . 1.4 tt -124.67 113.63 18.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.427 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' TYR . . . . . 0.547 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 57.8 m-85 -98.77 133.15 43.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.702 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.517 HG13 HD23 ' B' ' 12' ' ' LEU . 16.0 m -133.39 164.65 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.671 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.19 90.41 3.14 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.117 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.12 163.63 39.27 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.716 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -86.99 76.55 9.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.061 0.458 . . . . 0.0 110.4 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 43.4 p -106.21 149.79 38.61 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.327 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -54.76 -38.51 91.72 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.771 2.314 . . . . 0.0 112.939 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -61.52 -42.29 98.59 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.075 0.464 . . . . 0.0 110.414 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 67.1 m -70.71 -39.86 73.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.915 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 63.9 t -65.08 -45.15 95.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.667 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -66.51 -30.51 70.85 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.349 -0.387 . . . . 0.0 112.028 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.64 -39.77 85.44 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.891 0.377 . . . . 0.0 111.024 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.454 ' HB3' HD21 ' A' ' 654' ' ' LEU . 82.8 mt -62.84 -40.27 96.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.011 0.434 . . . . 0.0 110.847 178.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.44 -41.15 98.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.174 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 74.5 p -69.91 -37.63 76.02 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.223 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.425 ' HA ' HD13 ' B' ' 28' ' ' LEU . 1.9 mm? -67.29 -43.15 82.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.943 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.33 -42.83 99.71 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.276 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -62.82 -41.93 99.52 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.539 ' CD1' HG13 ' B' ' 86' ' ' VAL . 90.7 mt -68.21 -42.2 84.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.155 0.502 . . . . 0.0 110.845 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.497 HD22 ' HA ' ' B' ' 32' ' ' LEU . 0.4 OUTLIER -70.19 -42.85 71.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.717 -178.478 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -69.61 -20.22 63.63 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.98 -43.32 7.5 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 -178.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -95.68 -48.85 5.61 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 -177.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . 0.559 ' HD2' HG21 ' B' ' 39' ' ' VAL . 11.6 m-85 -131.79 65.28 1.57 Allowed 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -177.021 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -81.44 147.27 29.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.694 0.283 . . . . 0.0 110.921 178.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.33 1.15 88.25 Favored Glycine 0 CA--C 1.523 0.539 0 C-N-CA 120.998 -0.62 . . . . 0.0 114.644 178.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.559 HG21 ' HD2' ' B' ' 36' ' ' PHE . 6.5 m -124.97 -22.61 2.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 117.815 0.807 . . . . 0.0 112.111 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . 0.559 ' CD1' HG23 ' B' ' 39' ' ' VAL . 87.3 m-85 -120.32 134.38 55.27 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.953 0.406 . . . . 0.0 112.0 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.36 152.87 33.05 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 177.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' A' ' 641' ' ' ILE . 0.4 OUTLIER -121.08 145.37 47.86 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -178.055 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -126.2 136.8 53.27 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.734 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 60.8 t -116.64 123.03 71.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-O 120.701 0.286 . . . . 0.0 111.247 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.3 mp -124.54 132.83 70.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.776 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -98.49 111.81 24.04 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.502 HG12 ' HB2' ' B' ' 54' ' ' ALA . 32.4 m -64.67 -28.47 44.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -177.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 90.7 mt -66.48 -40.65 89.45 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -71.1 -38.84 72.38 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.698 ' OD1' ' HG2' ' B' ' 52' ' ' GLN . 26.3 t-20 -140.37 88.89 10.99 Favored Pre-proline 0 C--N 1.329 -0.29 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -64.55 -24.15 63.56 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.183 2.589 . . . . 0.0 114.626 -178.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.698 ' HG2' ' OD1' ' B' ' 50' ' ' ASN . 12.5 pt20 -68.94 -25.36 64.52 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.24 -179.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.05 -41.15 95.41 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.894 0.378 . . . . 0.0 110.395 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . 0.502 ' HB2' HG12 ' B' ' 47' ' ' VAL . . . -66.39 -39.66 89.18 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.618 178.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.56 -37.01 85.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.281 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.28 -38.46 91.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.609 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -100.1 10.21 41.62 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.505 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt 56.27 47.28 19.55 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.281 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.402 ' HB ' ' HB1' ' B' ' 54' ' ' ALA . 46.0 mm -89.56 118.6 35.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.479 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -115.37 -1.13 12.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.87 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -147.82 148.66 31.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.616 0.246 . . . . 0.0 111.239 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 75.0 p -145.37 149.19 40.24 Favored Pre-proline 0 CA--C 1.53 0.201 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.586 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . 0.547 ' HA ' ' O ' ' B' ' 13' ' ' TYR . 2.7 Cg_exo -80.14 136.06 36.2 Favored 'Cis proline' 0 C--N 1.351 0.659 0 C-N-CA 124.143 -1.19 . . . . 0.0 112.125 -1.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 24.9 p -132.6 154.19 50.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.017 0.436 . . . . 0.0 111.814 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.41 HD21 HD12 ' B' ' 12' ' ' LEU . 81.3 mt -100.46 126.16 46.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.352 178.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . 0.581 ' HB3' ' HB2' ' B' ' 11' ' ' LYS . . . -116.53 131.31 56.98 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.738 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.594 ' O ' ' HA ' ' B' ' 73' ' ' VAL . 37.7 ttpt -101.69 117.84 35.71 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 1.9 m -104.23 -38.83 5.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.789 0.328 . . . . 0.0 110.629 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 85.4 mt -137.88 131.33 16.84 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.101 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -72.68 149.74 94.25 Favored 'Cis proline' 0 C--N 1.348 0.518 0 C-N-CA 124.228 -1.155 . . . . 0.0 112.509 -1.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -73.78 166.65 29.19 Favored 'Trans proline' 0 CA--C 1.533 0.475 0 C-N-CA 123.08 2.52 . . . . 0.0 111.824 178.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.05 165.61 84.65 Favored 'Cis proline' 0 C--N 1.355 0.874 0 C-N-CA 124.654 -0.977 . . . . 0.0 114.155 1.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.594 ' HA ' ' O ' ' B' ' 67' ' ' LYS . 92.7 t -71.23 126.19 31.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -129.51 153.86 47.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.423 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 95.8 mtm-85 -123.69 141.77 51.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 111.303 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 82.8 mt -117.47 123.99 72.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.963 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 81.9 mt -116.14 124.53 72.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.319 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 175.11 -170.92 44.11 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.843 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -87.05 98.46 11.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.831 0.348 . . . . 0.0 110.192 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.466 HD12 ' HB2' ' B' ' 63' ' ' PRO . 98.1 mt -70.34 -27.06 64.05 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.579 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 74.1 m -63.28 -31.0 72.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.212 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -81.68 107.75 14.67 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . 0.519 ' HA ' HG12 ' B' ' 86' ' ' VAL . 61.0 ttp180 -59.84 -37.43 79.23 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.974 -178.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -58.98 -47.43 85.2 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.583 0.23 . . . . 0.0 111.581 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt -71.99 -45.3 61.47 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.539 HG13 ' CD1' ' B' ' 31' ' ' ILE . 12.5 p -65.04 -30.34 50.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.66 -179.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.481 ' HA ' HD13 ' B' ' 31' ' ' ILE . 66.9 tp -61.62 -46.02 91.59 Favored 'General case' 0 C--N 1.334 -0.075 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 177.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 90.8 mt -62.73 -47.46 92.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.357 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.16 98.87 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.522 HD12 HD12 ' B' ' 93' ' ' LEU . 13.6 tp -72.16 -32.55 66.98 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.717 0.294 . . . . 0.0 111.091 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 18.3 tpp85 -60.48 -39.55 88.07 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.556 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 88.7 mt -61.97 -40.03 94.18 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.93 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.522 HD12 HD12 ' B' ' 90' ' ' LEU . 89.4 mt -64.0 -40.96 97.54 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.761 0.315 . . . . 0.0 110.736 179.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.522 ' O ' HG22 ' B' ' 97' ' ' ILE . . . -63.18 -40.56 97.89 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.234 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.26 -40.69 98.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.719 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -64.0 -40.69 96.92 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.233 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.522 HG22 ' O ' ' B' ' 94' ' ' ALA . 14.0 tt -70.3 -28.13 34.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-O 120.713 0.292 . . . . 0.0 111.415 -179.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -85.04 -5.32 86.09 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.647 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 29.8 t0 55.56 45.31 25.17 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 122.787 0.435 . . . . 0.0 111.357 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -72.32 130.4 40.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -123.84 145.96 48.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.418 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -155.84 149.31 24.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.464 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -101.79 107.06 18.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.636 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -155.8 155.41 32.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.386 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -157.9 159.86 37.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.167 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 63.2 pttt . . . . . 0 C--O 1.251 1.156 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.929 179.969 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.974 0.416 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . 144.41 119.83 1.36 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.713 -0.756 . . . . 0.0 113.012 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -81.67 128.16 33.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.62 0.248 . . . . 0.0 110.952 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.634 ' HB ' HG22 ' A' ' 640' ' ' VAL . 50.4 mm -123.59 125.38 71.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.408 179.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 617' ' ' VAL . . . . . 0.604 HG23 ' HB3' ' A' ' 656' ' ' PRO . 98.6 t -116.59 123.88 72.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.007 0.432 . . . . 0.0 110.279 178.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 63.5 tp -108.24 122.6 47.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.276 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 619' ' ' VAL . . . . . 0.407 ' HB ' HD23 ' A' ' 661' ' ' LEU . 61.8 t -112.94 106.35 20.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.994 0.426 . . . . 0.0 110.143 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 46.9 t -162.25 145.59 11.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.946 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -90.84 0.24 57.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.749 0.309 . . . . 0.0 111.179 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -89.19 103.75 16.35 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.83 -36.72 77.39 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.452 -0.795 . . . . 0.0 112.892 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -59.39 -41.33 89.16 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -178.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.53 -38.17 49.29 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 121.177 -0.209 . . . . 0.0 111.353 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 66.1 m -61.65 -45.51 93.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.681 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 85.2 m -64.93 -45.95 83.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.971 0.415 . . . . 0.0 111.027 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.402 ' O ' HG13 ' A' ' 632' ' ' ILE . 63.0 tp -66.42 -50.61 62.82 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.323 -179.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 629' ' ' ILE . . . . . . . . . . . . . 64.5 mt -65.97 -39.25 84.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 71.8 m -60.02 -40.91 90.94 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . 0.449 ' HB3' ' CB ' ' B' ' 5' ' ' ARG . 64.9 m -65.62 -41.16 93.03 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.856 177.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 632' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 628' ' ' LEU . 74.4 mt -61.19 -48.31 89.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 633' ' ' LEU . . . . . 0.403 ' CB ' HG21 ' A' ' 640' ' ' VAL . 2.2 mm? -81.65 -37.73 27.04 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -178.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . 0.659 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 93.6 m -64.14 -42.26 96.86 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -178.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 635' ' ' THR . . . . . 0.503 HG21 ' HG ' ' B' ' 4' ' ' LEU . 20.4 m -60.97 -36.43 79.39 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.936 0.398 . . . . 0.0 111.398 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -69.09 -5.69 23.71 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 107.71 6.61 32.66 Favored Glycine 0 C--N 1.334 0.425 0 C-N-CA 120.519 -0.848 . . . . 0.0 113.806 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 638' ' ' TYR . . . . . 0.659 ' O ' ' HA ' ' A' ' 634' ' ' THR . 89.4 m-85 -99.45 150.6 22.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.916 0.358 . . . . 0.0 110.48 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -99.2 108.21 20.74 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 640' ' ' VAL . . . . . 0.634 HG22 ' HB ' ' A' ' 616' ' ' ILE . 58.7 t -105.68 128.79 59.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -177.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 641' ' ' ILE . . . . . 0.544 HG21 HD13 ' A' ' 654' ' ' LEU . 83.9 mt -120.15 126.57 75.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 114.937 -1.029 . . . . 0.0 108.921 177.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 642' ' ' TRP . . . . . . . . . . . . . 70.0 t90 -91.99 116.0 28.55 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . 0.464 HD22 ' HA ' ' A' ' 643' ' ' LEU . 0.2 OUTLIER -114.87 133.12 56.23 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.763 -178.399 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 27.6 m -74.88 145.84 10.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -71.21 164.09 26.35 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -177.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 102.83 -18.96 48.6 Favored Glycine 0 CA--C 1.523 0.571 0 CA-C-N 114.637 -1.165 . . . . 0.0 114.25 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -116.69 94.69 4.71 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 117.945 0.873 . . . . 0.0 112.666 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 71.2 t -70.11 -40.55 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.861 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.98 -38.64 79.62 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.78 0.324 . . . . 0.0 110.421 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . 0.431 ' HE ' HD11 ' A' ' 643' ' ' LEU . 25.2 ttp180 -64.42 -37.85 88.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.578 177.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 87.0 mt -63.81 -39.78 95.05 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.911 178.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -64.43 -35.3 80.48 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.365 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . 0.503 ' HB2' HG13 ' B' ' 22' ' ' VAL . . . -58.33 -37.84 75.94 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.785 178.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . 0.801 HD11 HD23 ' B' ' 25' ' ' LEU . 84.1 mt -108.27 29.11 7.65 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.521 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 655' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -31.11 101.99 0.18 Allowed Pre-proline 0 N--CA 1.477 0.912 0 N-CA-C 113.688 0.995 . . . . 0.0 113.688 -178.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 656' ' ' PRO . . . . . 0.604 ' HB3' HG23 ' A' ' 617' ' ' VAL . 42.7 Cg_endo -87.74 174.76 4.69 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.723 2.949 . . . . 0.0 112.995 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 47.2 pt -84.35 -19.69 9.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.494 0.664 . . . . 0.0 109.226 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . 0.718 ' HB2' HD21 ' A' ' 721' ' ' LEU . . . -153.45 147.94 26.08 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.212 -0.903 . . . . 0.0 110.435 179.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.606 HG23 HD11 ' A' ' 686' ' ' LEU . 74.0 t -118.04 127.26 75.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.454 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.677 HD13 ' HZ ' ' A' ' 713' ' ' PHE . 76.4 mt -103.08 116.53 32.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.975 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . 0.407 HD23 ' HB ' ' A' ' 619' ' ' VAL . 88.2 mt -109.31 126.3 53.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.377 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -140.91 144.92 35.49 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.839 0.352 . . . . 0.0 111.192 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . 0.442 ' OE1' ' HA ' ' A' ' 664' ' ' PRO . 72.8 mm-40 -72.69 156.56 89.93 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.952 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 664' ' ' PRO . . . . . 0.442 ' HA ' ' OE1' ' A' ' 663' ' ' GLU . 47.0 Cg_endo -90.01 164.28 34.46 Favored 'Cis proline' 0 C--N 1.35 0.627 0 C-N-CA 124.332 -1.112 . . . . 0.0 113.778 -1.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -115.33 120.61 40.19 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.228 178.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 78.4 p -70.78 -38.52 73.41 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -146.86 130.96 17.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.082 0.467 . . . . 0.0 111.523 -179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 99.59 154.4 28.07 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.738 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -95.91 146.29 24.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.639 0.257 . . . . 0.0 110.765 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 75.8 t -60.92 -43.22 95.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.488 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -62.92 -39.15 93.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.829 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -62.98 -43.11 99.68 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.909 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.99 -41.4 99.56 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.988 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . 0.706 HG22 HG21 ' A' ' 688' ' ' ILE . 76.8 t -61.7 -47.14 94.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.394 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -61.98 -44.41 96.79 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.783 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -63.45 -42.3 98.63 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.747 0.308 . . . . 0.0 111.487 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 86.7 mt -66.05 -38.86 89.43 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.427 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 37.7 mtp-105 -63.03 -37.64 88.0 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.976 0.417 . . . . 0.0 111.036 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -64.08 -36.42 83.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.575 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -87.66 -41.27 13.5 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 76.3 m -126.42 135.86 51.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.728 0.299 . . . . 0.0 111.281 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 60.7 p -74.11 156.91 87.43 Favored Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -55.74 -36.09 94.47 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 123.053 2.502 . . . . 0.0 113.662 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -70.58 -21.4 62.69 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.739 0.304 . . . . 0.0 111.316 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -94.74 -35.68 12.03 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.16 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 686' ' ' LEU . . . . . 0.606 HD11 HG23 ' A' ' 659' ' ' VAL . 0.3 OUTLIER -144.38 134.42 24.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.43 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -112.25 148.86 33.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.175 0.512 . . . . 0.0 111.761 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 688' ' ' ILE . . . . . 0.706 HG21 HG22 ' A' ' 674' ' ' VAL . 47.8 mm -107.8 125.43 64.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.08 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 689' ' ' PHE . . . . . 0.604 ' HB2' HD23 ' A' ' 660' ' ' LEU . 98.9 m-85 -119.36 139.27 52.26 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 178.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 85.9 mt -119.55 129.55 75.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.858 0.361 . . . . 0.0 111.27 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 691' ' ' LEU . . . . . 0.65 HD11 ' HE1' ' A' ' 713' ' ' PHE . 4.7 mp -94.14 128.47 40.58 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 112.59 -103.31 1.43 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.489 -0.862 . . . . 0.0 112.365 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 88.0 p -138.24 161.08 37.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.557 0.218 . . . . 0.0 110.645 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . 0.415 ' NZ ' ' HA ' ' A' ' 696' ' ' ASN . 5.6 ptmm? -144.58 160.92 40.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.825 0.345 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . -100.05 29.31 12.42 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 121.128 -0.558 . . . . 0.0 112.588 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 696' ' ' ASN . . . . . 0.415 ' HA ' ' NZ ' ' A' ' 694' ' ' LYS . 54.2 t30 59.53 45.1 13.85 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.302 0.572 . . . . 0.0 111.134 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -82.3 148.41 28.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.943 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 23.1 mp0 -72.3 151.32 42.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.825 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 95.16 -7.86 69.59 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.952 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 61.7 t -98.57 114.56 36.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -69.18 -43.31 74.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.141 -0.482 . . . . 0.0 112.182 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -160.6 155.75 24.6 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.246 -178.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -119.47 148.97 42.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.873 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 704' ' ' ILE . . . . . 0.448 HG21 ' HD1' ' A' ' 713' ' ' PHE . 4.6 mm -107.51 107.74 60.76 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -179.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -70.26 148.78 62.55 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.449 2.1 . . . . 0.0 112.91 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . 0.834 HD23 HG23 ' A' ' 708' ' ' ILE . 85.2 mt -102.39 149.13 36.38 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 707' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -73.98 156.21 99.73 Favored 'Cis proline' 0 C--N 1.352 0.716 0 C-N-CA 123.74 -1.358 . . . . 0.0 112.668 -0.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 708' ' ' ILE . . . . . 0.834 HG23 HD23 ' A' ' 706' ' ' LEU . 44.2 pt -107.17 154.77 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.239 0.543 . . . . 0.0 111.61 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -116.05 149.2 42.98 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -52.25 -50.59 13.5 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.486 2.124 . . . . 0.0 113.445 -178.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 50.0 mp0 -68.26 -40.31 81.95 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.222 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 68.9 m -62.08 -47.54 84.19 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.412 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 713' ' ' PHE . . . . . 0.677 ' HZ ' HD13 ' A' ' 660' ' ' LEU . 89.7 t80 -60.84 -49.27 78.14 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.689 179.025 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 68.1 tp -61.98 -46.99 86.82 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -179.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -64.98 -41.85 95.06 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -65.57 -43.03 91.04 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.554 0.216 . . . . 0.0 111.263 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 717' ' ' VAL . . . . . . . . . . . . . 65.6 t -66.41 -44.61 90.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-O 120.76 0.314 . . . . 0.0 110.812 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 718' ' ' THR . . . . . 0.46 ' O ' HG23 ' A' ' 722' ' ' THR . 91.1 m -61.94 -46.58 88.67 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.117 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 60.6 ttm -61.18 -42.99 99.55 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.23 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -61.65 -37.12 93.7 Favored Glycine 0 CA--C 1.521 0.456 0 C-N-CA 121.202 -0.523 . . . . 0.0 113.164 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 721' ' ' LEU . . . . . 0.718 HD21 ' HB2' ' A' ' 658' ' ' ALA . 90.3 mt -86.2 -1.01 57.05 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -178.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 722' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 718' ' ' THR . 64.1 p -63.64 -37.91 89.12 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.331 0.514 . . . . 0.0 111.811 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 80.5 p -70.87 -36.05 72.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.878 0.371 . . . . 0.0 110.874 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 724' ' ' LEU . . . . . . . . . . . . . 2.7 tt -64.08 -46.92 82.18 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.352 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -159.2 156.64 29.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.883 0.373 . . . . 0.0 111.19 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 76.8 p -125.82 155.79 40.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.601 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 39.3 t -153.65 148.5 26.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.328 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -101.03 134.05 44.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.571 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.636 -179.785 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.1 mtt . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 121.042 0.449 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.1 109.39 58.92 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.947 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -59.68 141.0 96.27 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.863 2.375 . . . . 0.0 112.463 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.503 ' HG ' HG21 ' A' ' 635' ' ' THR . 62.9 tp -117.02 126.79 53.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.666 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.449 ' CB ' ' HB3' ' A' ' 631' ' ' SER . 0.0 OUTLIER -132.51 -100.15 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.35 179.88 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt 59.49 41.46 19.17 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.405 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 33.5 p -101.43 158.68 15.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.772 0.32 . . . . 0.0 111.266 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.28 149.82 24.99 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 178.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.677 HG12 ' HB3' ' B' ' 41' ' ' ALA . 15.6 m -127.23 140.48 48.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.232 0.539 . . . . 0.0 112.375 -178.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.46 HD11 HD11 ' B' ' 90' ' ' LEU . 69.5 mt -113.98 140.66 48.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.58 178.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.651 ' HB2' ' HB3' ' B' ' 66' ' ' ALA . 55.1 mttp -104.1 126.79 51.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.141 0.496 . . . . 0.0 111.365 179.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.485 ' HB2' HD11 ' B' ' 42' ' ' LEU . 0.3 OUTLIER -113.95 110.59 20.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.005 178.843 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' TYR . . . . . 0.453 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 86.7 m-85 -97.26 123.74 41.15 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.252 179.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.595 HG12 ' HB3' ' B' ' 63' ' ' PRO . 27.8 m -135.86 170.2 19.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.054 -179.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.848 ' HB1' ' HB2' ' B' ' 48' ' ' LEU . . . -148.39 138.94 22.78 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.814 0.34 . . . . 0.0 111.266 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.63 175.45 50.29 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.074 -0.584 . . . . 0.0 113.752 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -110.65 21.62 16.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.494 -0.353 . . . . 0.0 110.484 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 66.8 p -70.57 155.54 93.26 Favored Pre-proline 0 C--O 1.235 0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.571 -178.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -55.47 -36.6 94.49 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.096 2.531 . . . . 0.0 113.103 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.09 -45.34 93.27 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.667 0.27 . . . . 0.0 110.74 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 74.1 m -70.12 -40.87 74.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.785 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.543 ' O ' ' HG3' ' B' ' 26' ' ' LYS . 62.1 t -64.36 -47.61 88.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.031 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 47.3 mtm105 -64.87 -35.59 81.62 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 -178.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.61 -40.84 88.83 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.524 0.202 . . . . 0.0 111.12 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.801 HD23 HD11 ' A' ' 654' ' ' LEU . 0.3 OUTLIER -63.37 -41.18 98.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.95 0.405 . . . . 0.0 110.752 179.074 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' B' ' 22' ' ' VAL . 27.7 mtpt -69.37 -38.0 77.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.504 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 94.4 m -61.88 -47.35 85.39 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.912 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 mp -67.44 -41.19 85.18 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.987 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.0 -41.89 97.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.268 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -61.79 -44.41 96.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.891 0.376 . . . . 0.0 111.024 179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.717 HD11 ' HG3' ' B' ' 83' ' ' ARG . 94.8 mt -65.49 -43.98 94.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.389 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 4.3 mp -69.16 -42.16 76.29 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.165 -178.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -71.38 -15.71 62.38 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -178.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -96.99 -62.76 1.21 Allowed 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -178.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -96.69 -21.51 17.55 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -177.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -116.38 26.41 9.92 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.566 -0.454 . . . . 0.0 112.093 -177.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -70.96 132.41 45.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.075 0.464 . . . . 0.0 111.933 -178.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.75 -10.44 74.77 Favored Glycine 0 CA--C 1.519 0.308 0 CA-C-N 115.83 -0.623 . . . . 0.0 114.056 178.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.556 HG23 ' HD1' ' B' ' 40' ' ' TYR . 4.7 m -121.09 -27.13 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 117.614 0.707 . . . . 0.0 112.801 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . 0.556 ' HD1' HG23 ' B' ' 39' ' ' VAL . 64.1 m-85 -122.79 134.57 54.42 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.677 ' HB3' HG12 ' B' ' 9' ' ' VAL . . . -113.33 151.66 30.92 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.485 HD11 ' HB2' ' B' ' 12' ' ' LEU . 63.5 tp -113.71 131.14 56.29 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -177.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -118.07 128.92 55.22 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.492 HG11 HD21 ' B' ' 25' ' ' LEU . 60.0 t -120.19 129.22 75.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -177.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.1 mp -121.88 132.99 69.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -91.46 107.07 18.95 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 33.9 m -73.93 -24.43 19.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -178.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.848 ' HB2' ' HB1' ' B' ' 15' ' ' ALA . 60.9 tp -64.91 -44.42 89.64 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.93 -39.3 69.56 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.544 ' OD1' ' HB3' ' B' ' 52' ' ' GLN . 19.4 t-20 -130.11 94.51 30.56 Favored Pre-proline 0 C--N 1.329 -0.315 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.64 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -64.4 -22.17 66.09 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.783 2.322 . . . . 0.0 112.481 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.544 ' HB3' ' OD1' ' B' ' 50' ' ' ASN . 56.0 tt0 -60.91 -42.18 97.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.225 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.538 ' HG ' ' OD1' ' B' ' 50' ' ' ASN . 96.4 mt -62.48 -41.07 98.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.974 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.8 -40.36 95.09 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.701 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.35 -36.45 84.17 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.279 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.44 -38.89 92.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.602 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -100.56 9.42 42.55 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 121.184 -0.206 . . . . 0.0 111.486 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 49.2 mmtm 56.38 48.71 16.46 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 47.1 mm -92.1 112.41 25.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.249 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 88.4 mt -109.22 4.63 23.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.921 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -146.52 154.55 41.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.836 0.35 . . . . 0.0 111.271 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . 0.425 ' OG1' ' HA ' ' B' ' 14' ' ' VAL . 2.0 t -154.31 139.73 12.14 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . 0.595 ' HB3' HG12 ' B' ' 14' ' ' VAL . 71.6 Cg_endo -75.99 147.83 88.62 Favored 'Cis proline' 0 C--N 1.35 0.624 0 C-N-CA 123.586 -1.423 . . . . 0.0 112.968 -0.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 1.9 p -134.03 145.42 49.43 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.013 0.435 . . . . 0.0 111.975 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 tt -101.57 117.44 34.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.183 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . 0.651 ' HB3' ' HB2' ' B' ' 11' ' ' LYS . . . -109.95 127.6 54.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.972 0.415 . . . . 0.0 110.934 179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.584 ' HE2' ' O ' ' B' ' 70' ' ' PRO . 0.0 OUTLIER -92.25 122.83 35.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.046 179.601 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 23.4 t -100.38 -55.95 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 0.0 111.132 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 79.4 mt -130.03 145.62 58.0 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.551 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . 0.584 ' O ' ' HE2' ' B' ' 67' ' ' LYS . 92.0 Cg_endo -77.49 153.75 94.86 Favored 'Cis proline' 0 C--N 1.349 0.605 0 C-N-CA 123.761 -1.35 . . . . 0.0 112.067 -1.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -72.29 164.44 35.62 Favored 'Trans proline' 0 CA--C 1.533 0.456 0 C-N-CA 122.273 1.982 . . . . 0.0 112.464 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -71.84 156.7 97.47 Favored 'Cis proline' 0 C--N 1.355 0.884 0 C-N-CA 124.296 -1.127 . . . . 0.0 113.925 1.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 21.0 m -73.93 138.6 20.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.73 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -139.49 161.89 36.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.257 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 35.1 ptt-85 -126.83 146.66 50.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.941 0.4 . . . . 0.0 110.754 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . 0.438 HD13 ' HB1' ' B' ' 89' ' ' ALA . 82.9 mt -120.28 126.45 75.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.49 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 43.8 pt -118.86 142.58 33.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.539 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.81 -157.92 28.89 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.668 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -87.32 97.25 10.69 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.1 mp -80.28 -10.46 59.76 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 77.4 p -73.19 -16.12 61.43 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.041 0.448 . . . . 0.0 110.49 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -95.06 116.23 28.44 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.77 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . 0.717 ' HG3' HD11 ' B' ' 31' ' ' ILE . 57.4 ttp180 -60.02 -35.92 76.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.849 -179.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -59.24 -46.77 87.59 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -40.1 83.99 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.427 -179.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 81.5 t -65.0 -46.22 92.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.543 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.402 HD13 HG23 ' B' ' 31' ' ' ILE . 66.1 tp -62.91 -46.87 85.8 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.23 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 81.0 mt -61.98 -47.99 90.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.817 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . 0.438 ' HB1' HD13 ' B' ' 76' ' ' ILE . . . -65.4 -42.54 92.48 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.46 HD11 HD11 ' B' ' 10' ' ' LEU . 49.6 tp -68.24 -37.16 80.49 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.327 -179.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -57.75 -37.99 74.57 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.0 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.65 -39.24 90.64 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 120.931 0.396 . . . . 0.0 110.348 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.541 HD22 ' HG3' ' B' ' 67' ' ' LYS . 99.2 mt -65.01 -37.01 86.24 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.81 179.118 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.463 ' O ' HG22 ' B' ' 97' ' ' ILE . . . -60.36 -36.13 77.31 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.676 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.16 -37.7 77.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.002 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -61.72 -42.32 98.8 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.463 HG22 ' O ' ' B' ' 94' ' ' ALA . 11.0 tp -75.74 -29.9 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-O 120.806 0.336 . . . . 0.0 110.994 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.26 -21.61 77.28 Favored Glycine 0 C--N 1.333 0.413 0 C-N-CA 121.119 -0.563 . . . . 0.0 112.836 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -84.61 75.0 10.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.973 0.416 . . . . 0.0 110.646 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -128.38 129.31 46.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.413 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -117.98 145.9 44.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.585 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -156.56 158.88 37.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.17 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -154.85 158.77 39.88 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -156.65 157.85 35.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.253 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -63.14 -42.82 99.55 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.127 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 68.9 mttm . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.32 -0.848 . . . . 0.0 110.638 179.87 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 121.135 0.493 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 614' ' ' GLY . . . . . 0.47 ' HA3' HD13 ' A' ' 657' ' ' ILE . . . -170.03 171.81 43.59 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.688 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . 0.462 ' O ' HG12 ' A' ' 657' ' ' ILE . 93.1 mtm-85 -91.75 136.63 33.0 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.863 0.363 . . . . 0.0 111.265 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.575 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 90.7 mt -130.08 130.12 65.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.811 178.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 617' ' ' VAL . . . . . 0.469 HG23 ' HB3' ' A' ' 656' ' ' PRO . 92.0 t -114.23 127.28 71.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.012 0.434 . . . . 0.0 111.189 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 57.2 tp -108.98 124.38 50.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.132 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 58.4 t -113.98 113.7 44.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.061 0.458 . . . . 0.0 110.198 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 88.4 p -163.01 162.68 26.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.435 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -100.53 -1.94 34.29 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.404 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -94.4 106.81 18.8 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 50.6 mp0 -62.45 -38.61 90.44 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.429 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -61.03 -42.72 99.0 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.765 0.317 . . . . 0.0 111.211 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . 0.402 ' O ' HG12 ' A' ' 629' ' ' ILE . 88.6 m -65.83 -44.88 84.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.739 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 88.6 p -64.16 -38.08 89.77 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.016 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 91.0 m -62.94 -45.86 90.49 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.995 0.426 . . . . 0.0 110.502 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 64.9 tp -65.52 -46.39 79.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.472 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 629' ' ' ILE . . . . . 0.416 HD11 HD11 ' A' ' 708' ' ' ILE . 36.9 mm -63.01 -46.15 97.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 25.8 p -65.71 -36.13 82.73 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.455 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 70.3 m -65.2 -43.18 92.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.74 0.305 . . . . 0.0 110.943 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.93 -50.26 78.17 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 633' ' ' LEU . . . . . 0.575 ' HB2' HG21 ' A' ' 640' ' ' VAL . 85.8 mt -71.84 -39.88 69.44 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -178.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . 0.673 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 94.0 m -64.04 -41.96 97.23 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -178.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 635' ' ' THR . . . . . 0.582 HG21 ' HG ' ' B' ' 4' ' ' LEU . 27.5 m -60.87 -37.76 83.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.963 0.411 . . . . 0.0 110.742 -179.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -70.62 -6.42 36.67 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.408 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 107.91 7.48 31.22 Favored Glycine 0 C--N 1.333 0.393 0 C-N-CA 120.54 -0.838 . . . . 0.0 113.898 179.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 638' ' ' TYR . . . . . 0.673 ' O ' ' HA ' ' A' ' 634' ' ' THR . 90.9 m-85 -97.7 150.96 20.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.078 0.439 . . . . 0.0 110.727 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -101.04 109.16 21.02 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 640' ' ' VAL . . . . . 0.575 HG21 ' HB2' ' A' ' 633' ' ' LEU . 57.7 t -107.64 127.74 63.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.355 0.598 . . . . 0.0 112.55 -178.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 641' ' ' ILE . . . . . 0.645 HG21 HD13 ' A' ' 654' ' ' LEU . 81.4 mt -120.21 125.07 73.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.026 178.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 642' ' ' TRP . . . . . 0.452 ' HB3' ' HG2' ' B' ' 43' ' ' LYS . 74.1 t90 -95.25 119.86 34.48 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.987 0.422 . . . . 0.0 110.187 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . 0.489 HD21 HD12 ' A' ' 654' ' ' LEU . 88.5 mt -114.53 143.1 45.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.627 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 644' ' ' VAL . . . . . 0.432 HG13 ' O ' ' B' ' 44' ' ' VAL . 14.2 m -75.06 145.93 10.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -69.19 158.25 35.3 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -176.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 103.76 -17.65 48.98 Favored Glycine 0 CA--C 1.524 0.609 0 CA-C-N 115.192 -0.913 . . . . 0.0 115.245 178.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -115.72 105.63 12.95 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 118.62 1.21 . . . . 0.0 113.345 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 81.0 t -71.68 -38.86 68.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.21 178.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 48.9 mp0 -58.51 -38.89 78.65 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.196 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -64.33 -37.63 88.18 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.95 -43.13 93.7 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.73 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.406 HD21 ' HG3' ' A' ' 680' ' ' ARG . 89.7 mt -66.61 -39.31 88.28 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.841 178.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . 0.573 ' HB2' HG13 ' B' ' 22' ' ' VAL . . . -59.31 -40.6 86.75 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.272 0.558 . . . . 0.0 111.05 179.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . 0.645 HD13 HG21 ' A' ' 641' ' ' ILE . 95.6 mt -109.16 30.74 6.3 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.096 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 655' ' ' THR . . . . . . . . . . . . . 6.9 t -45.9 111.11 1.32 Allowed Pre-proline 0 N--CA 1.469 0.48 0 CA-C-O 122.051 0.929 . . . . 0.0 112.694 -178.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 656' ' ' PRO . . . . . 0.469 ' HB3' HG23 ' A' ' 617' ' ' VAL . 33.1 Cg_endo -88.65 -172.41 0.72 Allowed 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 124.103 3.202 . . . . 0.0 113.329 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.47 HD13 ' HA3' ' A' ' 614' ' ' GLY . 47.9 pt -90.64 -20.04 7.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.502 0.667 . . . . 0.0 109.203 177.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -149.51 140.63 23.01 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.901 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.859 HG23 HD11 ' A' ' 686' ' ' LEU . 72.4 t -115.35 127.95 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.856 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.671 HD23 ' HB2' ' A' ' 689' ' ' PHE . 81.6 mt -107.46 120.8 43.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.403 179.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 85.2 mt -112.86 129.3 56.5 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . 0.457 ' HB2' ' HB2' ' A' ' 691' ' ' LEU . . . -140.68 152.66 45.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.122 0.487 . . . . 0.0 112.186 -179.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -78.46 158.94 75.71 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.525 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 664' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -84.68 161.62 66.35 Favored 'Cis proline' 0 C--N 1.351 0.661 0 C-N-CA 124.268 -1.139 . . . . 0.0 113.57 -0.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -115.25 97.74 6.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.042 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 66.7 m -63.57 -41.4 98.4 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.747 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -144.23 130.55 19.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.247 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 107.32 145.1 11.89 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.599 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -96.19 123.85 39.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.388 0.137 . . . . 0.0 110.831 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 62.2 t -60.08 -44.36 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.591 -179.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -61.57 -40.97 96.64 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.682 0.277 . . . . 0.0 110.797 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -62.85 -40.76 98.44 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.616 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.82 -41.35 97.67 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.706 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . 0.566 HG22 HG21 ' A' ' 688' ' ' ILE . 77.5 t -61.56 -46.55 96.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.067 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -61.85 -45.33 94.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.661 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . 0.564 ' O ' ' HG2' ' A' ' 680' ' ' ARG . 93.5 mm-40 -63.99 -43.41 95.77 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . 0.485 ' HB2' HD11 ' A' ' 688' ' ' ILE . 87.4 mt -65.5 -38.94 91.18 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.748 0.309 . . . . 0.0 111.363 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -61.37 -39.01 89.06 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.889 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -74.7 -18.91 60.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.143 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 680' ' ' ARG . . . . . 0.564 ' HG2' ' O ' ' A' ' 676' ' ' GLN . 16.0 mmp_? -88.44 -43.26 11.6 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 70.8 m -131.39 148.85 52.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.555 0.217 . . . . 0.0 111.263 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 55.7 p -73.58 157.53 87.57 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.762 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -55.07 -37.2 94.08 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.966 2.444 . . . . 0.0 113.73 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -70.86 -19.26 62.65 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.766 0.317 . . . . 0.0 111.348 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -97.11 -35.81 10.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.198 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 686' ' ' LEU . . . . . 0.859 HD11 HG23 ' A' ' 659' ' ' VAL . 65.6 tp -144.75 129.62 18.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.146 0.498 . . . . 0.0 111.42 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 687' ' ' LYS . . . . . 0.494 ' HE3' ' OG ' ' A' ' 723' ' ' SER . 68.3 mttm -119.03 148.48 42.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.487 178.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 688' ' ' ILE . . . . . 0.566 HG21 HG22 ' A' ' 674' ' ' VAL . 79.7 mt -116.43 129.2 73.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.364 -178.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 689' ' ' PHE . . . . . 0.671 ' HB2' HD23 ' A' ' 660' ' ' LEU . 98.8 m-85 -118.21 142.75 47.14 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 690' ' ' ILE . . . . . 0.543 HG21 ' HB2' ' A' ' 693' ' ' SER . 80.8 mt -119.12 130.38 73.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.88 0.371 . . . . 0.0 111.379 -178.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 691' ' ' LEU . . . . . 0.545 HD11 ' HE1' ' A' ' 713' ' ' PHE . 5.9 mp -103.31 120.46 40.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.946 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 91.67 -10.18 75.25 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 121.066 -0.588 . . . . 0.0 114.487 178.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 693' ' ' SER . . . . . 0.543 ' HB2' HG21 ' A' ' 690' ' ' ILE . 50.9 m -130.81 152.39 50.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 117.539 0.669 . . . . 0.0 110.75 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -148.01 157.76 43.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.989 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . 173.66 168.62 34.96 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 121.077 -0.582 . . . . 0.0 111.992 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -91.33 72.14 6.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.935 0.397 . . . . 0.0 110.634 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -126.27 135.2 51.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.44 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -68.84 152.38 45.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.004 0.431 . . . . 0.0 111.299 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 100.39 -10.49 59.61 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.625 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 59.5 t -108.6 116.69 52.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -70.56 -43.19 70.01 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.889 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 702' ' ' ARG . . . . . 0.449 ' CD ' HE21 ' A' ' 716' ' ' GLN . 44.3 ttm105 -164.44 154.93 14.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.632 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -115.08 146.7 41.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.016 0.436 . . . . 0.0 110.812 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 704' ' ' ILE . . . . . 0.416 ' HB ' ' HG ' ' A' ' 691' ' ' LEU . 5.2 mp -113.16 111.41 50.33 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.208 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.73 153.01 53.75 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.797 2.331 . . . . 0.0 113.33 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . 0.858 HD23 HG23 ' A' ' 708' ' ' ILE . 90.8 mt -105.25 150.27 38.68 Favored Pre-proline 0 N--CA 1.465 0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.424 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 707' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.08 156.59 99.82 Favored 'Cis proline' 0 C--N 1.353 0.776 0 C-N-CA 124.001 -1.25 . . . . 0.0 112.599 -0.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 708' ' ' ILE . . . . . 0.858 HG23 HD23 ' A' ' 706' ' ' LEU . 33.9 pt -108.07 157.0 8.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.223 0.535 . . . . 0.0 111.834 -179.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -112.49 148.12 38.52 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 177.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -52.16 -50.92 12.37 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.393 2.062 . . . . 0.0 113.425 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -67.39 -41.48 84.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.235 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 68.9 m -62.24 -47.91 82.29 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.688 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 713' ' ' PHE . . . . . 0.545 ' HE1' HD11 ' A' ' 691' ' ' LEU . 80.9 t80 -60.33 -50.03 75.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.261 179.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 63.4 tp -62.83 -45.75 91.15 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -178.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -64.88 -41.1 95.91 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 121.12 -0.232 . . . . 0.0 111.519 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 716' ' ' GLN . . . . . 0.449 HE21 ' CD ' ' A' ' 702' ' ' ARG . 63.1 tt0 -63.99 -42.74 97.09 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.731 0.3 . . . . 0.0 110.606 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 717' ' ' VAL . . . . . . . . . . . . . 61.8 t -66.44 -43.87 90.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.641 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 92.8 m -60.34 -45.76 92.3 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.465 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 25.3 mmt -62.14 -41.32 98.17 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.729 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 720' ' ' GLY . . . . . 0.411 ' CA ' HH12 ' A' ' 702' ' ' ARG . . . -65.74 -38.69 94.71 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.271 178.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 721' ' ' LEU . . . . . 0.591 HD13 HD12 ' A' ' 724' ' ' LEU . 1.0 OUTLIER -66.86 -14.66 62.96 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 -178.758 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 81.9 p -64.7 -26.43 68.37 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.843 0.354 . . . . 0.0 111.249 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . 0.494 ' OG ' ' HE3' ' A' ' 687' ' ' LYS . 89.3 p -71.15 -16.31 62.53 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.309 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 724' ' ' LEU . . . . . 0.591 HD12 HD13 ' A' ' 721' ' ' LEU . 91.5 mt -97.31 7.75 45.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.619 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . 74.17 -172.68 0.12 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.704 0.802 . . . . 0.0 111.276 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 67.4 p -127.83 160.13 32.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.274 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 93.5 p -145.84 162.56 37.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.52 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -101.21 133.85 45.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.033 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.434 -0.793 . . . . 0.0 111.361 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 61.1 mtt . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 120.93 0.395 . . . . 0.0 110.759 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.15 83.87 64.89 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.372 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -60.75 145.09 99.49 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.02 2.48 . . . . 0.0 112.444 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.582 ' HG ' HG21 ' A' ' 635' ' ' THR . 57.7 tp -97.19 119.68 36.15 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 17.1 mtt85 -131.73 -119.27 0.21 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.781 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.37 39.21 12.4 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.509 0.724 . . . . 0.0 112.729 179.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.498 HG21 ' HB ' ' A' ' 634' ' ' THR . 65.8 p -85.12 159.3 20.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.784 0.326 . . . . 0.0 110.701 178.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.51 143.24 28.42 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.575 HG12 ' HB3' ' B' ' 41' ' ' ALA . 23.0 m -128.75 139.0 53.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 121.224 0.535 . . . . 0.0 112.319 -178.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 85.2 mt -115.76 141.11 48.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.544 178.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.812 ' HB2' ' HB3' ' B' ' 66' ' ' ALA . 35.4 mmtp -101.75 127.51 48.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.212 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.41 ' O ' ' HA ' ' B' ' 44' ' ' VAL . 0.4 OUTLIER -116.99 110.91 18.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.891 0.377 . . . . 0.0 110.109 179.306 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' TYR . . . . . 0.517 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 91.2 m-85 -99.56 131.28 45.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.756 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 18.0 m -135.21 167.4 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.046 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.13 114.89 17.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.202 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.24 -176.35 54.69 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.474 178.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 34.2 p-10 -108.88 29.33 7.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.977 0.417 . . . . 0.0 110.756 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 67.4 p -68.86 156.87 90.36 Favored Pre-proline 0 C--O 1.235 0.333 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.521 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -54.48 -35.98 86.93 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 123.196 2.597 . . . . 0.0 113.254 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -60.23 -43.12 96.32 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.741 0.305 . . . . 0.0 110.844 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 73.1 m -69.72 -40.65 76.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.059 0.457 . . . . 0.0 110.645 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.573 HG13 ' HB2' ' A' ' 653' ' ' ALA . 68.3 t -65.81 -47.52 85.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.97 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.55 -35.97 81.53 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.251 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.47 -41.09 88.92 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.575 0.226 . . . . 0.0 110.895 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.458 HD22 HD11 ' A' ' 654' ' ' LEU . 80.6 mt -62.35 -42.92 99.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.98 178.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.79 -40.58 95.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.074 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 90.8 m -63.59 -46.04 87.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.49 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.32 -38.66 68.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.669 -179.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.23 -42.37 98.49 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -63.25 -41.67 99.09 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.773 HD11 ' HG3' ' B' ' 83' ' ' ARG . 96.4 mt -70.33 -43.21 78.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 121.029 0.442 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.459 HD13 HD21 ' B' ' 42' ' ' LEU . 0.5 OUTLIER -66.63 -37.98 85.96 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.922 -179.575 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.5 -39.24 86.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 112.119 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -89.84 -46.35 8.63 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -178.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -95.31 -14.46 23.91 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -176.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -129.57 33.48 4.47 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -178.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 9.0 ptmm? -76.98 130.48 37.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.027 0.441 . . . . 0.0 112.087 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.446 ' HA2' ' O ' ' A' ' 634' ' ' THR . . . 83.11 1.44 90.56 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 114.756 0.662 . . . . 0.0 114.756 178.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 5.1 m -128.59 -28.78 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 118.049 0.925 . . . . 0.0 113.3 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -124.59 139.41 53.9 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -178.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.575 ' HB3' HG12 ' B' ' 9' ' ' VAL . . . -119.09 154.24 33.51 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.287 178.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.459 HD21 HD13 ' B' ' 32' ' ' LEU . 86.3 mt -117.15 145.56 43.75 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -178.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.452 ' HG2' ' HB3' ' A' ' 642' ' ' TRP . 62.6 mttp -130.32 136.24 48.92 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.188 -0.914 . . . . 0.0 108.824 178.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.432 ' O ' HG13 ' A' ' 644' ' ' VAL . 59.4 t -122.14 127.9 75.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -178.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.3 mp -124.67 135.15 64.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.421 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -94.26 112.17 23.95 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 35.3 m -64.94 -29.38 47.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -178.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 90.1 mt -68.81 -38.11 79.68 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -70.39 -39.48 74.49 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.541 ' OD1' ' HG ' ' B' ' 53' ' ' LEU . 17.6 t-20 -137.01 92.5 14.1 Favored Pre-proline 0 N--CA 1.45 -0.441 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.86 -23.47 74.29 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 122.703 2.269 . . . . 0.0 112.166 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.538 ' HB3' ' OD1' ' B' ' 50' ' ' ASN . 56.8 tt0 -61.12 -43.18 99.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.32 179.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.541 ' HG ' ' OD1' ' B' ' 50' ' ' ASN . 95.9 mt -62.75 -41.59 99.28 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.96 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.81 -40.89 95.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.822 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.62 -37.46 86.66 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.14 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -66.65 -38.43 86.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.415 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -96.85 7.95 45.46 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 64.4 mttp 57.34 50.84 10.8 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 47.7 mm -97.14 116.62 39.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.443 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 89.5 mt -108.21 -13.7 14.86 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -148.74 151.44 34.85 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 122.433 -0.167 . . . . 0.0 111.325 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . 0.407 ' HA ' ' C ' ' B' ' 63' ' ' PRO . 67.8 p -136.02 155.13 77.87 Favored Pre-proline 0 N--CA 1.464 0.265 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.717 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . 0.545 ' HB2' HD12 ' B' ' 80' ' ' LEU . 27.6 Cg_exo -66.08 147.48 74.33 Favored 'Cis proline' 0 C--N 1.354 0.837 0 C-N-CA 124.479 -1.05 . . . . 0.0 113.064 -1.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.31 126.95 40.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.295 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 61.3 tp -103.53 117.57 34.75 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . 0.812 ' HB3' ' HB2' ' B' ' 11' ' ' LYS . . . -114.86 138.02 51.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.094 -178.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.506 ' HB3' ' H ' ' B' ' 74' ' ' ARG . 60.0 tttp -104.64 119.33 38.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.641 178.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.564 HG12 ' HG ' ' B' ' 69' ' ' LEU . 48.2 t -102.69 -57.88 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.735 0.302 . . . . 0.0 111.473 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.564 ' HG ' HG12 ' B' ' 68' ' ' VAL . 75.7 mt -131.79 145.06 55.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.03 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' B' ' 71' ' ' PRO . 90.0 Cg_endo -83.75 148.13 57.77 Favored 'Cis proline' 0 C--N 1.35 0.613 0 C-N-CA 123.548 -1.438 . . . . 0.0 112.113 -2.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . 0.471 ' HA ' ' C ' ' B' ' 72' ' ' PRO . 22.2 Cg_exo -66.38 164.27 29.04 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.784 2.323 . . . . 0.0 111.914 178.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . 0.471 ' C ' ' HA ' ' B' ' 71' ' ' PRO . 31.3 Cg_exo -62.18 149.57 59.75 Favored 'Cis proline' 0 C--N 1.355 0.875 0 C-N-CA 125.072 -0.803 . . . . 0.0 114.109 0.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 27.6 m -79.97 146.8 7.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.031 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.506 ' H ' ' HB3' ' B' ' 67' ' ' LYS . 83.9 mtp180 -134.8 151.85 51.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.796 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 28.5 mmt85 -123.98 129.67 51.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.326 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 83.2 mt -119.44 119.32 60.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.995 0.426 . . . . 0.0 110.521 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 82.2 mt -120.78 125.01 73.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.93 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 168.85 -166.52 39.73 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.378 -0.915 . . . . 0.0 112.397 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -84.59 107.15 16.66 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.545 HD12 ' HB2' ' B' ' 63' ' ' PRO . 98.8 mt -85.72 -4.94 59.3 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 84.2 p -75.72 -13.65 60.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.03 0.443 . . . . 0.0 110.428 178.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -91.35 109.18 20.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.918 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . 0.773 ' HG3' HD11 ' B' ' 31' ' ' ILE . 44.0 ttm180 -60.7 -37.75 82.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.752 -179.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -59.03 -47.49 85.02 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 120.712 0.291 . . . . 0.0 111.031 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 5.3 ttmm -66.74 -43.41 84.23 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.955 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 79.0 t -61.58 -42.45 94.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.804 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.509 ' O ' ' HG2' ' B' ' 91' ' ' ARG . 64.3 tp -60.14 -45.18 93.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.306 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.11 -47.24 94.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.37 -41.86 98.82 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.242 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 6.7 mp -70.07 -37.04 75.38 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.509 ' HG2' ' O ' ' B' ' 87' ' ' LEU . 22.3 mmt85 -62.35 -38.19 88.56 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.671 0.272 . . . . 0.0 110.684 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.4 -38.52 89.98 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.358 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.08 -38.93 93.13 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.772 179.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.3 94.81 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.389 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.01 -41.33 99.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.651 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -64.79 -41.87 95.51 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.971 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 19.4 tt -75.37 -30.17 22.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 111.53 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.9 -10.47 86.16 Favored Glycine 0 C--N 1.334 0.419 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.998 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -85.34 72.54 10.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.939 0.399 . . . . 0.0 110.672 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -137.14 128.9 28.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.554 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -102.89 120.01 39.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.197 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -63.62 -45.57 89.68 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.731 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -161.56 159.99 28.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.244 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -86.37 179.24 6.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.743 0.306 . . . . 0.0 110.787 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -157.69 160.07 37.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.182 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 64.7 tttm . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.5 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 121.043 0.449 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . 125.57 141.15 5.52 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.452 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 24.7 tpp180 -81.89 124.78 30.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.067 0.46 . . . . 0.0 111.254 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.605 ' HB ' HG22 ' A' ' 640' ' ' VAL . 20.9 mm -113.23 121.79 66.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.67 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 617' ' ' VAL . . . . . 0.539 HG23 ' HB3' ' A' ' 656' ' ' PRO . 81.0 t -120.79 125.22 73.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.072 0.463 . . . . 0.0 111.061 179.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.43 ' HB3' ' CE3' ' A' ' 642' ' ' TRP . 0.3 OUTLIER -111.57 130.11 55.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.325 179.132 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 619' ' ' VAL . . . . . 0.487 ' CG2' HD21 ' A' ' 651' ' ' LEU . 54.6 t -111.77 113.48 44.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.87 0.367 . . . . 0.0 111.239 -178.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . 0.583 ' HB3' ' CH2' ' A' ' 642' ' ' TRP . 8.0 t -175.54 179.45 1.44 Allowed 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.543 179.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 621' ' ' GLU . . . . . 0.542 ' HG2' HG13 ' A' ' 644' ' ' VAL . 97.9 mt-10 -117.2 4.74 12.65 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 120.581 0.229 . . . . 0.0 111.372 178.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -85.61 104.99 15.86 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.133 0.492 . . . . 0.0 111.101 -178.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.67 -37.95 89.28 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.872 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -60.82 -42.43 97.68 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.739 0.304 . . . . 0.0 111.526 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 87.9 m -65.22 -41.92 93.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.212 0.53 . . . . 0.0 110.032 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 45.3 t -60.96 -47.36 86.77 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.23 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 88.9 m -61.12 -47.58 85.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.63 -178.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 65.9 tp -64.31 -50.73 66.69 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 629' ' ' ILE . . . . . 0.441 ' HA ' HD12 ' A' ' 632' ' ' ILE . 60.1 mt -68.22 -37.7 78.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -178.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 76.4 m -58.93 -42.84 90.68 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 120.162 -0.615 . . . . 0.0 109.927 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 95.4 p -68.2 -34.7 76.75 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.208 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 632' ' ' ILE . . . . . 0.441 HD12 ' HA ' ' A' ' 629' ' ' ILE . 75.9 mt -62.03 -50.13 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 633' ' ' LEU . . . . . 0.601 ' HB2' HG21 ' A' ' 640' ' ' VAL . 62.0 mt -87.7 -40.02 14.49 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -178.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . 0.518 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 87.0 m -64.05 -44.46 92.39 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -177.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 635' ' ' THR . . . . . . . . . . . . . 18.1 m -60.84 -36.15 78.4 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.984 0.421 . . . . 0.0 110.898 -179.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -68.5 -8.09 38.05 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.131 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 107.82 8.98 29.26 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.499 -0.858 . . . . 0.0 113.708 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 638' ' ' TYR . . . . . 0.518 ' O ' ' HA ' ' A' ' 634' ' ' THR . 91.3 m-85 -95.4 147.99 22.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 117.029 0.415 . . . . 0.0 110.897 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.57 100.88 13.07 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 640' ' ' VAL . . . . . 0.605 HG22 ' HB ' ' A' ' 616' ' ' ILE . 60.1 t -104.31 129.22 56.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -177.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 641' ' ' ILE . . . . . 0.758 HG21 HD13 ' A' ' 654' ' ' LEU . 79.9 mt -122.64 127.77 75.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.591 177.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 642' ' ' TRP . . . . . 0.583 ' CH2' ' HB3' ' A' ' 620' ' ' SER . 53.1 t-105 -99.29 120.87 40.27 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.019 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . 0.515 HD12 HD23 ' A' ' 651' ' ' LEU . 84.3 mt -118.26 140.04 50.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.935 0.398 . . . . 0.0 111.158 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 644' ' ' VAL . . . . . 0.542 HG13 ' HG2' ' A' ' 621' ' ' GLU . 98.5 t -75.26 137.51 22.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.418 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -64.56 161.88 16.59 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 103.35 -18.32 48.73 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-N 114.903 -1.044 . . . . 0.0 114.777 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 50.1 mp0 -115.6 107.23 14.86 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.426 1.113 . . . . 0.0 113.114 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 95.5 t -72.43 -39.77 63.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.587 177.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -58.25 -33.69 69.65 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.178 179.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -61.5 -40.6 95.19 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.515 HD23 HD12 ' A' ' 643' ' ' LEU . 94.2 mt -67.1 -39.68 86.76 Favored 'General case' 0 C--O 1.226 -0.138 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.63 179.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.529 HD11 ' HG3' ' A' ' 680' ' ' ARG . 9.0 mp -65.56 -39.38 91.63 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.345 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . 0.558 ' HB2' HG13 ' B' ' 22' ' ' VAL . . . -59.31 -41.27 88.66 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.632 179.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . 0.758 HD13 HG21 ' A' ' 641' ' ' ILE . 91.2 mt -110.12 29.93 7.2 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.839 -179.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 655' ' ' THR . . . . . 0.424 HG23 ' HA ' ' A' ' 652' ' ' LEU . 0.0 OUTLIER -31.5 102.1 0.19 Allowed Pre-proline 0 N--CA 1.478 0.943 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -178.103 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 656' ' ' PRO . . . . . 0.539 ' HB3' HG23 ' A' ' 617' ' ' VAL . 41.8 Cg_endo -88.41 176.96 3.42 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.929 3.086 . . . . 0.0 113.118 179.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.438 ' O ' ' HA ' ' A' ' 686' ' ' LEU . 46.4 pt -85.4 -18.36 9.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.352 0.596 . . . . 0.0 109.454 177.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -151.69 143.22 23.53 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.276 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.6 HG23 HD11 ' A' ' 686' ' ' LEU . 67.5 t -117.29 126.17 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 110.286 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 8.8 mp -108.62 124.74 50.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.989 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -109.03 125.54 52.19 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -109.13 126.72 53.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.981 0.42 . . . . 0.0 111.811 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . 0.44 ' OE2' HG21 ' A' ' 670' ' ' VAL . 70.9 mm-40 -82.59 154.05 68.29 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.476 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 664' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -81.9 157.91 80.25 Favored 'Cis proline' 0 C--N 1.348 0.528 0 C-N-CA 123.894 -1.294 . . . . 0.0 113.242 -0.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -99.78 100.82 11.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.158 178.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 78.6 p -66.04 -38.98 89.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 112.02 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -129.01 134.79 48.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.893 0.378 . . . . 0.0 111.31 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 90.79 151.77 26.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.905 -0.664 . . . . 0.0 113.108 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -95.95 124.66 40.06 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 670' ' ' VAL . . . . . 0.44 HG21 ' OE2' ' A' ' 663' ' ' GLU . 70.8 t -59.45 -46.13 93.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -178.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -62.83 -40.79 98.51 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.555 0.217 . . . . 0.0 111.31 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -64.0 -42.91 97.01 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.942 0.401 . . . . 0.0 110.499 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.46 -44.55 96.15 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.66 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . 0.437 HG22 HG21 ' A' ' 688' ' ' ILE . 65.9 t -61.27 -44.77 99.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.006 179.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 675' ' ' ASP . . . . . 0.558 ' O ' ' HG2' ' A' ' 678' ' ' ARG . 38.0 t70 -60.55 -43.16 97.52 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.087 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . 0.491 ' O ' ' HG2' ' A' ' 680' ' ' ARG . 97.4 mm-40 -64.37 -41.45 96.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.651 0.263 . . . . 0.0 111.088 179.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 83.7 mt -65.44 -40.3 93.1 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 678' ' ' ARG . . . . . 0.558 ' HG2' ' O ' ' A' ' 675' ' ' ASP . 9.1 ptm180 -69.27 -18.6 63.88 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.737 0.303 . . . . 0.0 111.169 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -85.73 -13.08 49.48 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.729 0.299 . . . . 0.0 110.569 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 680' ' ' ARG . . . . . 0.529 ' HG3' HD11 ' A' ' 652' ' ' LEU . 29.8 mmm180 -96.04 -44.77 7.19 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.049 0.452 . . . . 0.0 110.422 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 72.6 m -130.44 148.36 52.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.538 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 68.0 p -74.61 157.74 85.72 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.937 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -55.2 -38.18 93.79 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 123.008 2.472 . . . . 0.0 113.86 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 21.5 pm0 -72.15 -22.51 61.3 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 121.17 -0.212 . . . . 0.0 111.467 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -89.69 -35.52 15.75 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.601 0.239 . . . . 0.0 111.603 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 686' ' ' LEU . . . . . 0.6 HD11 HG23 ' A' ' 659' ' ' VAL . 0.2 OUTLIER -140.77 133.91 29.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.859 0.361 . . . . 0.0 110.687 -179.767 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -109.03 149.38 29.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.778 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 688' ' ' ILE . . . . . 0.437 HG21 HG22 ' A' ' 674' ' ' VAL . 50.9 mm -113.37 127.57 70.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.767 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -125.43 142.99 51.2 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 85.4 mt -122.41 130.15 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.122 0.487 . . . . 0.0 111.461 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 691' ' ' LEU . . . . . 0.44 ' HG ' ' HB ' ' A' ' 704' ' ' ILE . 5.4 mp -106.16 131.73 53.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.999 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 692' ' ' GLY . . . . . 0.532 ' HA2' ' HB2' ' A' ' 706' ' ' LEU . . . 100.8 -18.27 55.18 Favored Glycine 0 CA--C 1.517 0.187 0 C-N-CA 120.902 -0.666 . . . . 0.0 114.55 178.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 88.6 p -139.11 163.06 33.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 117.729 0.765 . . . . 0.0 111.254 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . 0.465 ' HA ' ' CD2' ' A' ' 703' ' ' TYR . 21.9 ptmt -146.5 160.08 42.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.191 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . 176.09 -170.61 43.54 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.562 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -103.57 21.87 15.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.744 0.307 . . . . 0.0 111.095 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -72.02 141.73 49.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.023 0.44 . . . . 0.0 111.127 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -86.18 158.48 19.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.017 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 95.53 -7.6 68.54 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.865 -0.684 . . . . 0.0 112.697 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 60.0 t -111.93 122.75 66.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -67.22 -43.02 83.05 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.135 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -160.26 150.38 18.21 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.759 0.314 . . . . 0.0 111.326 -179.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 703' ' ' TYR . . . . . 0.465 ' CD2' ' HA ' ' A' ' 694' ' ' LYS . 98.0 m-85 -110.18 136.89 48.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.554 179.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 704' ' ' ILE . . . . . 0.44 ' HB ' ' HG ' ' A' ' 691' ' ' LEU . 4.7 mp -112.99 105.79 55.49 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-O 120.663 0.268 . . . . 0.0 110.619 179.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 705' ' ' PRO . . . . . 0.477 ' O ' HG22 ' A' ' 708' ' ' ILE . 34.6 Cg_exo -61.53 146.26 97.14 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 123.484 2.79 . . . . 0.0 113.706 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . 0.71 HD12 ' HA ' ' A' ' 707' ' ' PRO . 30.1 tp -107.55 141.92 24.06 Favored Pre-proline 0 CA--C 1.535 0.367 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 707' ' ' PRO . . . . . 0.71 ' HA ' HD12 ' A' ' 706' ' ' LEU . 59.9 Cg_endo -70.46 153.21 94.65 Favored 'Cis proline' 0 C--N 1.355 0.902 0 C-N-CA 124.323 -1.115 . . . . 0.0 113.678 0.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 708' ' ' ILE . . . . . 0.477 HG22 ' O ' ' A' ' 705' ' ' PRO . 24.8 pt -107.4 155.51 8.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.987 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -109.33 146.73 34.54 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -52.95 -52.02 9.77 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.488 2.125 . . . . 0.0 113.625 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 50.7 mp0 -67.22 -40.61 86.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.318 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 69.1 m -62.89 -46.04 89.71 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.217 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 713' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -59.79 -49.94 75.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.349 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 2.1 tt -62.6 -43.16 99.51 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.978 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -63.66 -41.98 98.15 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -65.87 -41.94 90.99 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 121.094 -0.243 . . . . 0.0 110.958 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 717' ' ' VAL . . . . . . . . . . . . . 65.4 t -65.12 -45.19 94.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.615 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 90.2 m -60.85 -47.62 85.55 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.332 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 98.2 mtp -64.69 -40.11 94.82 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.329 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -63.45 -39.39 97.66 Favored Glycine 0 CA--C 1.521 0.425 0 C-N-CA 120.87 -0.681 . . . . 0.0 113.056 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.86 -6.19 49.59 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 -178.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 74.2 p -65.75 -31.32 72.25 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 118.133 0.424 . . . . 0.0 111.258 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 73.5 m -66.24 -39.73 89.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.56 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 724' ' ' LEU . . . . . . . . . . . . . 2.1 tt -67.39 -44.19 79.5 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.115 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -153.7 146.65 24.47 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.965 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 15.0 t -150.53 157.28 42.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.698 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 60.7 m -129.34 148.2 51.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.68 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -147.09 153.36 39.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.675 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 20.0 mp0 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.145 -0.931 . . . . 0.0 111.013 179.932 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 121.029 0.442 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . 0.682 ' HB1' ' HB2' ' B' ' 5' ' ' ARG . . . -130.19 79.57 72.48 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.146 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -57.18 -39.78 87.86 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 123.051 2.501 . . . . 0.0 113.173 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 4.8 tp -152.17 55.57 0.82 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.948 0.404 . . . . 0.0 110.239 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.682 ' HB2' ' HB1' ' B' ' 2' ' ' ALA . 2.2 mpt_? -115.9 80.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.364 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -135.44 79.85 1.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.701 0.286 . . . . 0.0 111.257 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 68.8 p -132.81 158.41 42.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.781 0.324 . . . . 0.0 111.471 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.26 139.58 39.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.998 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 65.0 t -114.01 119.74 61.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.012 0.434 . . . . 0.0 111.559 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.693 ' HG ' HD21 ' B' ' 65' ' ' LEU . 6.1 mp -101.19 120.02 39.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.921 178.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.503 ' HG2' ' HD2' ' B' ' 43' ' ' LYS . 59.9 mtpt -102.2 109.35 21.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.711 0.291 . . . . 0.0 111.212 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.484 HD11 ' HB2' ' B' ' 63' ' ' PRO . 61.6 tp -99.53 119.63 38.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.109 0.48 . . . . 0.0 111.21 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' TYR . . . . . 0.471 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 41.1 m-85 -98.66 129.52 45.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.23 178.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 32.6 m -133.62 168.42 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.256 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.7 101.46 7.74 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.198 -179.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.65 -165.89 50.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 121.019 -0.61 . . . . 0.0 113.347 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -105.27 32.75 4.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.882 0.372 . . . . 0.0 110.613 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 67.6 p -65.01 152.49 91.09 Favored Pre-proline 0 CA--C 1.532 0.275 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.519 -179.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -54.52 -38.33 90.18 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 123.165 2.577 . . . . 0.0 113.503 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -61.74 -40.03 93.66 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.845 0.355 . . . . 0.0 110.735 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 68.8 m -69.74 -40.76 75.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.202 179.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.558 HG13 ' HB2' ' A' ' 653' ' ' ALA . 60.9 t -65.0 -47.09 89.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.877 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -65.5 -37.01 85.56 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -179.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.38 -42.38 91.53 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 121.325 -0.15 . . . . 0.0 111.307 -179.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.449 ' HB3' HD21 ' A' ' 654' ' ' LEU . 73.6 mt -62.92 -40.77 98.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.307 178.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.89 -42.34 99.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.692 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 74.5 p -73.09 -40.02 65.36 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.742 0.306 . . . . 0.0 111.396 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.566 HD12 HD11 ' B' ' 90' ' ' LEU . 62.2 tp -63.49 -46.95 83.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.881 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.76 -41.11 96.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.72 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -61.98 -45.22 94.59 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.16 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.543 HD11 ' HG3' ' B' ' 83' ' ' ARG . 84.6 mt -63.88 -46.0 95.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -179.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.537 HD21 HD22 ' B' ' 90' ' ' LEU . 93.3 mt -69.77 -38.65 76.8 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -178.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -70.42 -17.77 63.01 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.893 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -96.93 -46.51 6.19 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -178.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -94.87 -47.59 6.38 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -176.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . 0.556 ' HD2' HG21 ' B' ' 39' ' ' VAL . 2.8 m-85 -130.68 64.67 1.55 Allowed 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -177.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -81.25 147.33 29.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.795 0.331 . . . . 0.0 110.99 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.3 -7.68 80.16 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.758 -0.734 . . . . 0.0 114.157 178.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.572 HG23 ' CD1' ' B' ' 40' ' ' TYR . 6.4 m -118.64 -21.52 4.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 117.823 0.811 . . . . 0.0 112.601 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . 0.572 ' CD1' HG23 ' B' ' 39' ' ' VAL . 92.8 m-85 -117.5 129.23 55.67 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.9 145.32 33.92 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 176.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.471 HD23 ' HB2' ' B' ' 10' ' ' LEU . 85.7 mt -118.21 142.12 47.8 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -177.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.503 ' HD2' ' HG2' ' B' ' 11' ' ' LYS . 16.5 ptpt -141.65 149.54 40.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.327 177.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 7.0 p -128.44 138.71 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.09 0.472 . . . . 0.0 111.354 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.0 mp -125.26 132.88 70.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.291 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -93.11 110.07 21.56 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 34.5 m -64.9 -26.87 41.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 90.4 mt -66.34 -39.05 88.96 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -70.62 -39.07 73.94 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.708 ' OD1' ' HG2' ' B' ' 52' ' ' GLN . 38.2 t-20 -141.73 93.17 7.71 Favored Pre-proline 0 C--N 1.328 -0.329 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -65.13 -23.65 60.19 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.018 2.479 . . . . 0.0 114.548 -178.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.708 ' HG2' ' OD1' ' B' ' 50' ' ' ASN . 18.0 pt20 -69.3 -24.82 63.99 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.353 -179.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 93.2 mt -63.9 -41.89 97.59 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.883 0.373 . . . . 0.0 110.359 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.32 92.93 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.492 178.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.94 -37.89 88.87 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.163 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' B' ' 52' ' ' GLN . 98.2 mt-10 -63.77 -39.04 93.3 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.553 -178.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -99.65 9.96 42.2 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 64.1 mttp 59.24 45.61 13.99 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 41.8 mm -100.13 113.1 34.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.092 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 90.0 mt -111.02 3.43 18.66 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -148.95 159.99 43.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.51 0.195 . . . . 0.0 111.312 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 63.3 p -140.95 148.28 51.54 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.744 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . 0.484 ' HB2' HD11 ' B' ' 12' ' ' LEU . 89.3 Cg_endo -79.63 144.69 71.73 Favored 'Cis proline' 0 C--N 1.35 0.616 0 C-N-CA 123.445 -1.481 . . . . 0.0 112.716 -1.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 88.4 m -129.14 131.53 47.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.993 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.693 HD21 ' HG ' ' B' ' 10' ' ' LEU . 3.7 tt -101.35 120.75 40.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.935 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . 0.473 ' HB3' ' HB2' ' B' ' 11' ' ' LYS . . . -109.95 134.24 52.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.136 -179.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.42 ' O ' HG13 ' B' ' 73' ' ' VAL . 86.1 tttt -103.85 118.05 35.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.905 178.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.558 HG12 ' HG ' ' B' ' 69' ' ' LEU . 52.6 t -105.52 -60.76 2.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.822 179.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.558 ' HG ' HG12 ' B' ' 68' ' ' VAL . 92.2 mt -132.39 141.09 40.0 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.572 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.06 160.33 96.66 Favored 'Cis proline' 0 C--N 1.347 0.493 0 C-N-CA 123.589 -1.421 . . . . 0.0 112.271 -1.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.16 166.29 29.67 Favored 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 122.858 2.372 . . . . 0.0 112.272 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.37 161.42 94.56 Favored 'Cis proline' 0 C--N 1.354 0.818 0 C-N-CA 124.239 -1.15 . . . . 0.0 114.493 1.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.42 HG13 ' O ' ' B' ' 67' ' ' LYS . 85.6 t -79.86 122.64 35.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.099 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -133.09 153.17 51.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.993 -179.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 95.9 mtm-85 -124.48 134.39 53.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.463 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . 0.43 HD13 ' HB1' ' B' ' 89' ' ' ALA . 80.9 mt -116.7 119.77 62.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.312 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 81.7 mt -117.08 125.04 73.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.369 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 172.42 -171.82 44.52 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.137 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -87.99 104.32 16.53 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.0 mp -83.79 1.59 42.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.756 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 69.8 m -64.18 -32.26 73.78 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.065 0.459 . . . . 0.0 110.277 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -85.32 114.1 22.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.378 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . 0.543 ' HG3' HD11 ' B' ' 31' ' ' ILE . 61.4 ttp180 -60.27 -37.02 79.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.473 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.14 -44.14 92.05 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.699 0.285 . . . . 0.0 110.526 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -64.28 -41.24 97.0 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.14 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 83.3 t -61.09 -41.16 88.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.195 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 15.4 mt -60.08 -39.5 86.29 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.367 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 93.9 mt -60.73 -48.43 88.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.744 0.307 . . . . 0.0 111.144 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . 0.43 ' HB1' HD13 ' B' ' 76' ' ' ILE . . . -65.59 -45.43 83.22 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.566 HD11 HD12 ' B' ' 28' ' ' LEU . 79.0 mt -70.58 -36.23 73.46 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -59.17 -44.88 92.15 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.908 0.385 . . . . 0.0 110.757 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 88.2 mt -64.32 -40.79 96.62 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.687 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.21 -40.35 94.01 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.404 ' O ' HG22 ' B' ' 97' ' ' ILE . . . -61.91 -40.9 97.06 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.549 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.85 -42.02 97.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.311 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.32 -41.24 94.22 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.056 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.404 HG22 ' O ' ' B' ' 94' ' ' ALA . 16.0 tt -71.92 -27.62 28.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-O 120.688 0.28 . . . . 0.0 111.41 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -62.22 -37.76 95.07 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 121.255 -0.498 . . . . 0.0 112.776 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -85.32 73.67 10.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.917 0.389 . . . . 0.0 110.706 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -131.27 124.81 31.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.463 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . 0.409 ' HB3' ' H ' ' B' ' 102' ' ' ASP . 26.3 mtpp 61.35 -162.91 0.27 Allowed 'General case' 0 N--CA 1.469 0.502 0 O-C-N 123.686 0.616 . . . . 0.0 111.517 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . 0.409 ' H ' ' HB3' ' B' ' 101' ' ' LYS . 37.6 t70 -93.32 105.39 17.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.835 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -89.0 99.25 12.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.845 0.355 . . . . 0.0 110.371 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -91.68 102.91 15.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.554 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -157.13 159.43 37.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.228 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 88.2 tttt . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.15 -0.928 . . . . 0.0 110.448 -179.941 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 121.024 0.44 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . -82.36 61.71 4.68 Favored Glycine 0 CA--C 1.517 0.179 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.622 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -91.84 150.71 20.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.08 0.467 . . . . 0.0 111.19 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.507 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 49.3 mm -123.43 132.68 70.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.866 -178.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 617' ' ' VAL . . . . . 0.451 HG13 HD23 ' A' ' 643' ' ' LEU . 75.9 t -107.16 124.76 63.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 121.174 0.511 . . . . 0.0 111.215 179.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -102.24 118.93 37.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.635 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 619' ' ' VAL . . . . . 0.423 ' HB ' HD23 ' A' ' 661' ' ' LEU . 60.6 t -114.71 109.07 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.032 0.444 . . . . 0.0 110.637 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 34.2 t -165.72 147.98 7.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.86 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -84.52 -9.74 58.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.738 0.304 . . . . 0.0 110.675 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -87.6 106.09 17.77 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.942 0.401 . . . . 0.0 110.074 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 51.1 mp0 -63.76 -38.94 92.99 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.813 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -60.92 -45.29 95.25 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -178.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 88.8 m -67.1 -42.57 84.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.098 0.475 . . . . 0.0 110.133 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 70.1 m -62.49 -42.51 99.54 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.568 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 89.3 m -63.46 -43.96 95.86 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.898 0.38 . . . . 0.0 110.757 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 1.2 tt -62.79 -46.71 86.74 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.872 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 629' ' ' ILE . . . . . . . . . . . . . 36.0 mm -63.2 -44.04 99.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.764 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 99.0 m -61.67 -42.67 99.24 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.279 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 70.7 m -63.73 -41.4 98.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.579 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 632' ' ' ILE . . . . . 0.478 HD13 ' HA ' ' A' ' 710' ' ' PRO . 97.7 mt -62.43 -47.68 91.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -179.175 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 633' ' ' LEU . . . . . 0.744 HD11 HG11 ' A' ' 717' ' ' VAL . 2.3 mp -80.49 -38.93 28.92 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -178.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . 0.728 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 93.7 m -63.66 -43.06 97.86 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -178.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 635' ' ' THR . . . . . 0.847 HG21 ' HA ' ' B' ' 4' ' ' LEU . 32.9 m -62.0 -37.83 86.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.044 0.45 . . . . 0.0 110.736 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -68.51 -6.48 25.42 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 108.51 5.01 32.25 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 120.544 -0.836 . . . . 0.0 113.929 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 638' ' ' TYR . . . . . 0.728 ' O ' ' HA ' ' A' ' 634' ' ' THR . 83.1 m-85 -99.83 155.31 17.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.979 0.389 . . . . 0.0 110.337 179.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -104.24 114.94 29.53 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 640' ' ' VAL . . . . . 0.507 ' HA ' ' O ' ' A' ' 616' ' ' ILE . 61.5 t -108.53 127.99 64.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.123 0.487 . . . . 0.0 111.747 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 641' ' ' ILE . . . . . 0.683 HG21 HD13 ' A' ' 654' ' ' LEU . 74.2 mt -117.51 126.24 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 642' ' ' TRP . . . . . 0.541 ' HB3' ' HG3' ' B' ' 43' ' ' LYS . 63.5 t90 -92.09 118.17 30.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.169 0.509 . . . . 0.0 110.659 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . 0.526 HD13 ' HB ' ' B' ' 44' ' ' VAL . 0.6 OUTLIER -109.01 140.04 43.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.026 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 9.8 m -75.3 142.85 14.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . 0.46 ' OD1' HD11 ' A' ' 673' ' ' LEU . 9.6 t0 -65.35 150.32 48.49 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -177.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 95.64 -6.43 67.66 Favored Glycine 0 C--N 1.337 0.622 0 CA-C-N 115.54 -0.754 . . . . 0.0 114.328 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 647' ' ' GLU . . . . . 0.433 ' HB3' ' HD2' ' A' ' 650' ' ' ARG . 81.2 mm-40 -114.07 95.47 5.31 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 117.85 0.825 . . . . 0.0 113.175 -179.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 73.6 t -70.73 -39.12 75.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.303 177.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -58.3 -37.74 75.64 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.299 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . 0.487 HH21 HG22 ' B' ' 22' ' ' VAL . 0.0 OUTLIER -64.18 -38.19 90.18 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 177.862 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.22 -40.39 86.4 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.124 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.741 ' HA ' HG23 ' A' ' 655' ' ' THR . 88.7 mt -66.14 -40.18 90.4 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.375 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -60.21 -40.48 90.27 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.188 0.518 . . . . 0.0 111.234 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . 0.683 HD13 HG21 ' A' ' 641' ' ' ILE . 88.8 mt -110.21 30.16 7.01 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.347 -179.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 655' ' ' THR . . . . . 0.741 HG23 ' HA ' ' A' ' 652' ' ' LEU . 0.7 OUTLIER -40.29 104.02 0.31 Allowed Pre-proline 0 N--CA 1.477 0.924 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -178.633 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 656' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -88.29 -178.78 2.19 Favored 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 123.808 3.006 . . . . 0.0 112.59 179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.534 ' O ' ' HA ' ' A' ' 686' ' ' LEU . 44.9 pt -81.45 -24.17 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.247 0.546 . . . . 0.0 109.762 177.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -152.65 150.7 29.76 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.574 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.612 HG13 HD11 ' A' ' 686' ' ' LEU . 18.6 m -122.49 147.39 26.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.858 0.361 . . . . 0.0 110.839 179.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.802 HD23 ' HB2' ' A' ' 689' ' ' PHE . 84.8 mt -121.51 122.99 40.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.744 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . 0.423 HD23 ' HB ' ' A' ' 619' ' ' VAL . 77.9 mt -108.87 124.02 49.98 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -123.25 137.34 54.89 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . 0.508 ' HB2' ' HA ' ' A' ' 664' ' ' PRO . 22.3 pt-20 -77.57 160.34 75.06 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.446 179.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 664' ' ' PRO . . . . . 0.508 ' HA ' ' HB2' ' A' ' 663' ' ' GLU . 91.9 Cg_endo -77.64 155.47 95.53 Favored 'Cis proline' 0 C--N 1.351 0.681 0 C-N-CA 124.209 -1.163 . . . . 0.0 113.267 -0.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -115.08 80.21 1.39 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.915 179.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 71.1 m -62.93 -40.97 99.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.37 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -124.31 128.57 49.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.865 0.364 . . . . 0.0 111.177 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 97.89 143.46 14.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.942 -0.646 . . . . 0.0 113.036 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -96.3 117.85 31.65 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 670' ' ' VAL . . . . . 0.435 ' O ' HG23 ' A' ' 674' ' ' VAL . 32.9 m -61.85 -33.09 56.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 C-N-CA 121.276 -0.17 . . . . 0.0 111.436 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -64.67 -39.32 93.48 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.972 0.415 . . . . 0.0 109.988 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -64.43 -41.45 96.58 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.791 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 673' ' ' LEU . . . . . 0.46 HD11 ' OD1' ' A' ' 645' ' ' ASP . 87.1 mt -62.22 -42.55 99.4 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.353 179.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . 0.818 HG22 HG21 ' A' ' 688' ' ' ILE . 56.4 t -61.58 -47.15 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.247 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -62.46 -44.15 97.1 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.778 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . 0.441 ' O ' ' HD3' ' A' ' 680' ' ' ARG . 97.1 mm-40 -64.34 -42.11 96.42 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.627 0.251 . . . . 0.0 111.622 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.7 -38.15 88.41 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 678' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 674' ' ' VAL . 77.6 mtm180 -62.55 -38.16 88.96 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -84.45 -11.2 56.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.07 0.462 . . . . 0.0 111.026 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 680' ' ' ARG . . . . . 0.504 ' HG2' HD21 ' A' ' 652' ' ' LEU . 8.4 mpt_? -92.28 -47.23 7.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.274 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 72.9 m -127.89 150.01 50.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.942 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 68.8 p -72.53 153.55 91.75 Favored Pre-proline 0 C--O 1.234 0.264 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.807 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -61.69 -28.3 82.17 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.519 2.146 . . . . 0.0 113.147 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -74.18 -21.36 59.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.892 0.377 . . . . 0.0 110.779 178.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -97.49 -36.73 10.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.079 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 686' ' ' LEU . . . . . 0.612 HD11 HG13 ' A' ' 659' ' ' VAL . 58.0 tp -138.53 126.7 22.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.092 0.473 . . . . 0.0 111.597 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 687' ' ' LYS . . . . . 0.64 ' HG3' HD21 ' A' ' 724' ' ' LEU . 68.5 mttm -111.18 148.96 31.64 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.169 178.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 688' ' ' ILE . . . . . 0.818 HG21 HG22 ' A' ' 674' ' ' VAL . 24.6 mm -105.55 124.39 60.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -178.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 689' ' ' PHE . . . . . 0.802 ' HB2' HD23 ' A' ' 660' ' ' LEU . 96.2 m-85 -125.43 141.7 51.91 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.767 -0.456 . . . . 0.0 109.767 178.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 82.6 mt -125.37 130.9 72.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 121.107 0.48 . . . . 0.0 111.499 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 691' ' ' LEU . . . . . 0.571 HD11 ' HE1' ' A' ' 713' ' ' PHE . 4.8 mp -97.36 138.28 35.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.255 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 81.82 19.25 65.98 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.924 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 70.7 m -66.7 134.46 52.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.643 0.259 . . . . 0.0 111.446 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -67.66 -39.58 84.53 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.297 0.57 . . . . 0.0 109.873 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . -156.63 -171.84 23.27 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.676 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -69.79 132.37 45.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.681 0.277 . . . . 0.0 111.03 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -121.85 150.18 42.29 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.477 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -74.1 143.63 45.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.495 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 84.33 3.06 88.94 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.576 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 57.4 t -113.8 122.62 68.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -65.37 -45.11 85.39 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.688 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -157.6 146.4 19.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.177 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 56.2 p90 -123.47 148.92 45.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.911 0.386 . . . . 0.0 111.082 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 704' ' ' ILE . . . . . 0.484 HG22 HG22 ' A' ' 708' ' ' ILE . 4.9 mp -116.8 103.72 51.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.879 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -71.68 150.81 57.23 Favored 'Trans proline' 0 CA--C 1.534 0.498 0 C-N-CA 122.673 2.249 . . . . 0.0 113.543 -179.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . 0.863 HD23 HG23 ' A' ' 708' ' ' ILE . 75.7 mt -95.41 151.65 38.77 Favored Pre-proline 0 N--CA 1.465 0.3 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.634 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 707' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -70.61 149.62 90.95 Favored 'Cis proline' 0 C--N 1.352 0.74 0 C-N-CA 124.322 -1.116 . . . . 0.0 112.394 -1.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 708' ' ' ILE . . . . . 0.863 HG23 HD23 ' A' ' 706' ' ' LEU . 37.1 pt -107.72 153.4 9.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.0 0.429 . . . . 0.0 111.198 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -114.76 147.3 37.9 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 710' ' ' PRO . . . . . 0.478 ' HA ' HD13 ' A' ' 632' ' ' ILE . 87.1 Cg_exo -53.2 -50.5 13.78 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.437 2.092 . . . . 0.0 113.434 -179.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 50.9 mp0 -65.69 -40.32 92.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.159 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 70.3 m -64.45 -47.72 78.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.2 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 713' ' ' PHE . . . . . 0.571 ' HE1' HD11 ' A' ' 691' ' ' LEU . 73.7 t80 -60.32 -49.02 79.26 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.295 179.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 63.9 tp -60.81 -45.42 94.49 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -64.37 -42.35 96.23 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.686 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -67.1 -41.11 86.85 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 717' ' ' VAL . . . . . 0.744 HG11 HD11 ' A' ' 633' ' ' LEU . 7.4 p -73.0 -38.05 54.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 92.9 m -61.23 -45.33 94.98 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.48 0.181 . . . . 0.0 111.162 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 38.8 mmt -61.58 -40.85 96.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.44 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -64.5 -39.94 97.26 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.94 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 721' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 717' ' ' VAL . 97.9 mt -72.02 -21.59 61.52 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 122.576 0.35 . . . . 0.0 111.768 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 97.2 m -60.17 -42.05 94.15 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.574 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 75.0 m -62.92 -37.95 89.04 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.668 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 724' ' ' LEU . . . . . 0.64 HD21 ' HG3' ' A' ' 687' ' ' LYS . 55.4 mt -72.57 -85.34 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.475 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -165.95 158.64 14.97 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.47 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 60.47 67.63 0.82 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 123.444 0.465 . . . . 0.0 111.919 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 80.8 p -64.66 -34.1 77.49 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.282 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . 56.94 -114.55 0.83 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.783 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 9.7 mp0 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.884 -179.791 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 121.048 0.452 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.8 148.77 70.86 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.536 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -57.44 -38.73 93.38 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 122.844 2.363 . . . . 0.0 113.063 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.847 ' HA ' HG21 ' A' ' 635' ' ' THR . 1.2 mp -125.98 163.97 21.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.041 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 57.2 mmm-85 62.69 34.19 14.99 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.817 0.698 . . . . 0.0 111.596 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -139.88 90.13 2.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.932 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.423 HG21 ' HB ' ' A' ' 634' ' ' THR . 34.5 p -129.81 158.84 38.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.773 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.32 145.96 25.61 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.431 HG12 ' HE2' ' B' ' 43' ' ' LYS . 19.7 m -117.15 127.82 74.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.459 0.647 . . . . 0.0 112.234 -178.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.578 ' HG ' HD11 ' B' ' 65' ' ' LEU . 1.8 mp -105.49 126.31 51.98 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.789 179.284 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.693 ' HB2' ' HB3' ' B' ' 66' ' ' ALA . 35.4 mmtp -101.68 109.18 20.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.9 0.381 . . . . 0.0 111.053 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.49 HD22 ' HA ' ' B' ' 12' ' ' LEU . 0.5 OUTLIER -96.45 113.45 25.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.318 179.205 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -99.58 130.09 45.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.349 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.422 HG12 ' HB3' ' B' ' 63' ' ' PRO . 19.0 m -132.62 164.84 33.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.637 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.6 114.76 10.88 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 120.864 0.364 . . . . 0.0 111.666 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.02 -165.24 45.18 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 120.844 -0.693 . . . . 0.0 113.766 178.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -111.4 36.02 3.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.652 0.263 . . . . 0.0 111.276 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 59.8 p -72.57 145.86 87.93 Favored Pre-proline 0 C--N 1.325 -0.474 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.732 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -56.09 -38.07 95.4 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.164 2.576 . . . . 0.0 114.09 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -65.44 -33.89 77.01 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.812 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 71.9 m -72.86 -41.72 64.46 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.324 0.583 . . . . 0.0 110.208 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.487 HG22 HH21 ' A' ' 650' ' ' ARG . 75.8 t -65.63 -47.1 87.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.683 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 -69.17 -29.63 67.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.145 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.58 -41.75 86.45 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -178.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.409 ' HB3' HD21 ' A' ' 654' ' ' LEU . 78.7 mt -62.85 -41.45 99.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.757 0.313 . . . . 0.0 111.162 178.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -63.85 -40.91 97.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.953 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 85.8 m -69.51 -44.73 70.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.848 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.14 -43.04 93.16 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.98 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.52 -39.26 90.4 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.101 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . 0.555 ' O ' ' HG2' ' B' ' 33' ' ' GLU . 27.7 t-20 -60.83 -43.0 98.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.68 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.559 HD11 HG13 ' B' ' 86' ' ' VAL . 97.4 mt -64.65 -44.09 96.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.324 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.492 ' HA ' ' HB2' ' B' ' 36' ' ' PHE . 3.9 mp -67.23 -38.64 85.56 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.632 -178.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' B' ' 30' ' ' ASN . 11.8 pt-20 -68.04 -19.86 64.93 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.388 0.885 . . . . 0.0 113.388 -178.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -98.92 -62.89 1.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 -177.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 49.8 mp0 -95.78 -15.85 22.29 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -176.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . 0.579 ' HE2' ' HB2' ' B' ' 94' ' ' ALA . 74.9 m-85 -118.03 21.59 12.71 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.458 -0.497 . . . . 0.0 112.078 -177.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -70.67 132.47 45.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.905 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.555 ' HA2' ' O ' ' A' ' 634' ' ' THR . . . 85.43 2.97 87.13 Favored Glycine 0 C--N 1.333 0.404 0 N-CA-C 114.566 0.586 . . . . 0.0 114.566 178.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.651 HG13 ' HD1' ' B' ' 40' ' ' TYR . 2.6 p -134.77 -26.06 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 117.789 0.795 . . . . 0.0 112.543 -179.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . 0.651 ' HD1' HG13 ' B' ' 39' ' ' VAL . 69.8 m-85 -120.8 137.27 54.61 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -179.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.58 154.0 27.87 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.365 177.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.537 ' HB3' HG23 ' A' ' 641' ' ' ILE . 0.3 OUTLIER -113.6 141.56 47.04 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -177.82 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.541 ' HG3' ' HB3' ' A' ' 642' ' ' TRP . 0.3 OUTLIER -130.32 137.84 50.15 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.512 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.526 ' HB ' HD13 ' A' ' 643' ' ' LEU . 48.8 t -120.03 122.73 69.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 120.727 -0.389 . . . . 0.0 112.04 -179.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.2 mp -126.9 135.11 64.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.418 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -93.23 114.79 27.36 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.937 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.48 HG22 ' HB2' ' B' ' 54' ' ' ALA . 53.5 t -61.03 -43.53 96.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -178.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.03 -40.7 96.6 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -177.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -70.39 -39.45 74.53 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 120.511 -0.476 . . . . 0.0 112.152 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.529 ' OD1' ' HB3' ' B' ' 52' ' ' GLN . 32.2 t-20 -134.77 90.19 23.48 Favored Pre-proline 0 C--N 1.328 -0.333 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.283 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' B' ' 50' ' ' ASN . 33.3 Cg_endo -63.5 -24.26 70.6 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.692 2.261 . . . . 0.0 112.41 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.529 ' HB3' ' OD1' ' B' ' 50' ' ' ASN . 40.7 tt0 -61.28 -42.51 98.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.027 179.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 97.2 mt -64.16 -40.77 96.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . 0.48 ' HB2' HG22 ' B' ' 47' ' ' VAL . . . -66.47 -40.28 89.28 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.805 178.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.3 -27.47 67.19 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.283 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.97 -41.24 97.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.042 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -100.07 10.86 40.61 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.442 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 64.3 mttp 59.22 46.38 13.0 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 123.586 0.554 . . . . 0.0 111.919 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 49.5 mm -91.94 113.06 26.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.55 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 89.7 mt -109.81 -0.29 18.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.286 -0.416 . . . . 0.0 112.022 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -148.33 154.74 40.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.632 0.253 . . . . 0.0 111.226 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 64.8 p -141.45 150.34 57.45 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.906 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . 0.422 ' HB3' HG12 ' B' ' 14' ' ' VAL . 4.5 Cg_exo -81.23 134.62 28.56 Favored 'Cis proline' 0 C--N 1.348 0.503 0 C-N-CA 124.156 -1.185 . . . . 0.0 112.22 -1.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 31.9 p -132.03 152.58 51.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.015 0.436 . . . . 0.0 111.364 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.578 HD11 ' HG ' ' B' ' 10' ' ' LEU . 65.7 tp -106.01 124.81 50.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.075 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . 0.693 ' HB3' ' HB2' ' B' ' 11' ' ' LYS . . . -110.39 135.39 51.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.803 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -105.59 120.41 41.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.518 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.644 ' HA ' HG12 ' B' ' 73' ' ' VAL . 83.5 t -98.05 -50.66 11.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.106 0.479 . . . . 0.0 109.945 178.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 80.9 mt -129.92 136.69 29.45 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.051 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -76.23 151.7 95.39 Favored 'Cis proline' 0 C--N 1.347 0.455 0 C-N-CA 123.565 -1.431 . . . . 0.0 112.744 -0.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.61 166.21 29.87 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.018 2.479 . . . . 0.0 112.305 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -72.64 159.63 96.26 Favored 'Cis proline' 0 C--N 1.353 0.806 0 C-N-CA 124.269 -1.138 . . . . 0.0 113.781 1.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.644 HG12 ' HA ' ' B' ' 68' ' ' VAL . 10.1 m -68.52 130.2 33.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.233 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -136.66 158.58 44.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.295 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 34.1 ptt-85 -129.47 149.74 51.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.942 0.401 . . . . 0.0 110.77 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . 0.498 HD12 HD23 ' B' ' 65' ' ' LEU . 81.8 mt -114.27 122.3 68.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.398 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 81.0 mt -115.66 123.92 71.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.033 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 172.98 -165.66 38.01 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.828 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -85.69 98.93 10.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.881 0.372 . . . . 0.0 110.222 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -69.78 -25.33 63.74 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.37 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 77.1 p -69.81 -18.94 63.49 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 120.76 0.314 . . . . 0.0 111.347 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.483 ' O ' HG12 ' B' ' 86' ' ' VAL . 61.0 t-20 -88.98 104.28 16.83 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . 0.484 ' HA ' HG12 ' B' ' 86' ' ' VAL . 44.3 ttm180 -60.59 -37.77 82.43 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.08 -178.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.76 -46.82 87.97 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 120.587 0.232 . . . . 0.0 111.427 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -71.81 -45.89 60.0 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.559 HG13 HD11 ' B' ' 31' ' ' ILE . 7.2 p -60.98 -32.63 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 5.7 mt -64.53 -39.91 94.64 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 177.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 82.1 mt -61.43 -48.16 90.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.482 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.47 -42.54 98.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.188 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 5.6 mp -74.57 -36.77 63.07 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 44.7 tpt85 -60.64 -38.42 84.75 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.781 0.324 . . . . 0.0 110.954 -178.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.64 -37.63 84.71 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.639 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.02 -38.74 89.82 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.79 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.579 ' HB2' ' HE2' ' B' ' 36' ' ' PHE . . . -61.04 -40.74 94.78 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.118 0.485 . . . . 0.0 111.254 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.33 -41.07 96.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.348 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -64.98 -41.52 95.36 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.956 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 17.9 tt -72.28 -29.91 33.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-O 120.775 0.321 . . . . 0.0 111.477 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -80.22 -10.7 85.16 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.68 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -87.14 73.21 9.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.874 0.369 . . . . 0.0 110.635 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -133.02 128.13 35.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.687 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.48 127.81 26.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.167 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -91.17 102.91 15.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.655 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -90.88 104.07 16.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.558 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -84.93 76.64 10.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.567 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -90.95 101.0 13.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 50.4 mmtm . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.314 -0.85 . . . . 0.0 110.635 179.562 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.858 0.361 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . -72.62 143.65 34.24 Favored Glycine 0 CA--C 1.518 0.252 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.776 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . 0.458 ' O ' HG12 ' A' ' 657' ' ' ILE . 9.4 ptm180 -101.2 131.32 47.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.287 0.565 . . . . 0.0 111.188 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.511 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 85.9 mt -124.43 132.6 71.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.682 -178.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 617' ' ' VAL . . . . . 0.708 HG23 ' HB3' ' A' ' 656' ' ' PRO . 97.0 t -110.69 126.4 68.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.12 0.486 . . . . 0.0 110.552 179.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.418 HD12 ' O ' ' A' ' 660' ' ' LEU . 58.2 tp -104.59 124.17 48.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.266 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 59.1 t -113.55 107.78 23.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.01 0.433 . . . . 0.0 110.463 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 34.6 t -162.04 139.79 8.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.555 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -74.96 -13.02 60.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.655 0.264 . . . . 0.0 111.321 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -86.73 106.74 17.86 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.949 0.404 . . . . 0.0 110.682 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 51.9 mp0 -65.62 -37.24 86.03 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -178.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -60.45 -44.14 96.14 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 87.3 m -66.5 -42.28 87.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.187 0.518 . . . . 0.0 110.192 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 626' ' ' SER . . . . . 0.413 ' HA ' ' CD2' ' A' ' 618' ' ' LEU . 68.5 m -62.47 -40.82 97.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.222 -179.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 92.1 m -60.56 -45.98 91.89 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 110.568 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 66.7 tp -63.34 -47.19 83.2 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.147 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 629' ' ' ILE . . . . . . . . . . . . . 37.4 mm -63.32 -45.63 97.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -178.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 89.1 m -62.08 -42.7 99.48 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 111.577 0.214 . . . . 0.0 111.577 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 56.5 m -64.46 -42.72 95.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.682 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 632' ' ' ILE . . . . . 0.421 HD13 ' HA ' ' A' ' 710' ' ' PRO . 96.2 mt -62.81 -50.36 79.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -179.23 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 633' ' ' LEU . . . . . 0.566 ' HB2' HG21 ' A' ' 640' ' ' VAL . 85.8 mt -71.12 -40.15 71.62 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -179.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . 0.658 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 94.3 m -63.92 -43.68 95.2 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -178.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 635' ' ' THR . . . . . . . . . . . . . 18.9 m -62.6 -36.73 83.66 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.947 0.403 . . . . 0.0 110.567 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -70.7 -8.29 50.98 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.452 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 108.04 6.14 32.36 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.455 -0.879 . . . . 0.0 113.681 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 638' ' ' TYR . . . . . 0.658 ' O ' ' HA ' ' A' ' 634' ' ' THR . 97.6 m-85 -96.47 149.56 21.6 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -102.2 112.29 24.92 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 640' ' ' VAL . . . . . 0.566 HG21 ' HB2' ' A' ' 633' ' ' LEU . 58.0 t -110.68 130.62 63.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -178.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 641' ' ' ILE . . . . . 0.693 HG21 HD13 ' A' ' 654' ' ' LEU . 83.2 mt -119.3 126.08 75.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.083 -0.962 . . . . 0.0 108.634 177.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 642' ' ' TRP . . . . . 0.404 ' CH2' HG22 ' A' ' 644' ' ' VAL . 60.3 t90 -95.31 125.47 39.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.066 0.46 . . . . 0.0 111.238 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . 0.457 HD11 ' HG2' ' A' ' 650' ' ' ARG . 0.5 OUTLIER -119.41 137.12 53.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.667 179.752 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 644' ' ' VAL . . . . . 0.404 HG22 ' CH2' ' A' ' 642' ' ' TRP . 16.3 t -75.73 144.97 11.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . 0.571 ' OD2' ' HA3' ' A' ' 668' ' ' GLY . 39.3 t0 -61.7 146.58 48.77 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -177.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 103.61 -5.91 48.34 Favored Glycine 0 C--N 1.335 0.523 0 CA-C-N 115.344 -0.844 . . . . 0.0 113.927 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -114.16 87.22 2.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 117.748 0.774 . . . . 0.0 112.749 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 85.2 t -71.68 -40.32 70.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.395 178.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 649' ' ' GLU . . . . . 0.467 ' OE1' ' HB2' ' B' ' 17' ' ' ASN . 96.5 mt-10 -59.13 -37.7 77.87 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.531 0.205 . . . . 0.0 110.599 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . 0.457 ' HG2' HD11 ' A' ' 643' ' ' LEU . 0.0 OUTLIER -64.26 -35.49 81.0 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 177.768 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.07 -40.25 90.71 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.003 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.434 ' HA ' HG23 ' A' ' 655' ' ' THR . 3.6 mm? -70.65 -39.38 73.67 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.425 178.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . 0.556 ' HB2' HG13 ' B' ' 22' ' ' VAL . . . -59.8 -39.64 85.68 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.12 179.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . 0.693 HD13 HG21 ' A' ' 641' ' ' ILE . 90.2 mt -108.94 29.76 7.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.801 -179.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 655' ' ' THR . . . . . 0.434 HG23 ' HA ' ' A' ' 652' ' ' LEU . 0.5 OUTLIER -29.63 103.05 0.18 Allowed Pre-proline 0 N--CA 1.479 1.023 0 N-CA-C 113.923 1.082 . . . . 0.0 113.923 -178.568 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 656' ' ' PRO . . . . . 0.708 ' HB3' HG23 ' A' ' 617' ' ' VAL . 46.1 Cg_endo -86.61 171.88 7.05 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 123.615 2.877 . . . . 0.0 113.026 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.458 HG12 ' O ' ' A' ' 615' ' ' ARG . 43.8 pt -80.98 -21.22 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.613 0.72 . . . . 0.0 109.218 177.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -154.99 152.66 29.94 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.03 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 14.6 p -123.27 137.73 55.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.892 0.377 . . . . 0.0 110.343 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.706 HD23 ' HB2' ' A' ' 689' ' ' PHE . 83.9 mt -114.08 128.14 56.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.321 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . 0.753 ' HB2' HG22 ' A' ' 690' ' ' ILE . 75.9 mt -113.85 117.91 32.74 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 177.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -107.89 127.54 53.83 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -177.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . 0.444 ' HB3' ' HA ' ' A' ' 664' ' ' PRO . 77.4 mm-40 -81.2 160.2 66.04 Favored Pre-proline 0 CA--C 1.532 0.277 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.028 178.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 664' ' ' PRO . . . . . 0.444 ' HA ' ' HB3' ' A' ' 663' ' ' GLU . 93.0 Cg_endo -80.24 155.91 86.72 Favored 'Cis proline' 0 C--N 1.351 0.699 0 C-N-CA 124.204 -1.165 . . . . 0.0 113.803 -0.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -111.76 87.29 2.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.245 178.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 73.2 m -63.44 -39.94 95.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -129.33 126.15 38.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.24 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . 0.571 ' HA3' ' OD2' ' A' ' 645' ' ' ASP . . . 107.44 138.37 8.75 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.907 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -96.61 116.65 29.46 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.974 0.109 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 670' ' ' VAL . . . . . 0.414 ' O ' HG23 ' A' ' 674' ' ' VAL . 36.0 m -61.02 -33.44 55.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 120.52 0.2 . . . . 0.0 111.346 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -64.31 -38.05 89.66 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.695 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 54.9 tp10 -61.41 -45.21 95.28 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.338 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 673' ' ' LEU . . . . . 0.539 HD11 ' OD1' ' A' ' 645' ' ' ASP . 86.3 mt -63.67 -41.51 98.16 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.607 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . 0.543 HG22 HG21 ' A' ' 688' ' ' ILE . 54.0 t -61.36 -47.63 92.58 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.933 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -63.12 -44.18 96.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.686 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -64.83 -40.52 95.32 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.23 -39.27 93.61 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.794 -0.184 . . . . 0.0 111.366 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 -62.99 -37.17 86.07 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.132 0.492 . . . . 0.0 110.927 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -64.91 -37.51 87.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.612 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 14.7 mmp_? -87.84 -40.68 13.81 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.605 0.595 . . . . 0.0 112.605 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 73.6 m -126.61 145.75 50.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.822 0.344 . . . . 0.0 111.526 -179.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 72.4 p -72.81 154.74 91.09 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.633 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.83 -28.44 86.42 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.387 2.058 . . . . 0.0 113.261 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -76.72 -32.95 58.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.82 0.343 . . . . 0.0 110.622 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -72.15 -38.49 69.18 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.18 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 686' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -143.33 133.09 23.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.509 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -106.68 148.76 27.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.418 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 688' ' ' ILE . . . . . 0.543 HG21 HG22 ' A' ' 674' ' ' VAL . 65.2 mt -111.57 128.52 68.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.559 -178.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 689' ' ' PHE . . . . . 0.706 ' HB2' HD23 ' A' ' 660' ' ' LEU . 92.6 m-85 -129.12 146.58 51.03 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 690' ' ' ILE . . . . . 0.753 HG22 ' HB2' ' A' ' 661' ' ' LEU . 34.3 pt -126.73 143.95 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -179.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 691' ' ' LEU . . . . . 0.675 HD11 ' HE1' ' A' ' 713' ' ' PHE . 6.0 mp -112.48 139.52 47.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.662 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 83.33 19.9 61.49 Favored Glycine 0 CA--C 1.516 0.1 0 C-N-CA 120.795 -0.717 . . . . 0.0 114.194 178.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 47.0 t -109.65 128.94 55.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 117.111 0.456 . . . . 0.0 110.674 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 29.8 tptp -63.4 -43.06 98.61 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.196 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . -115.39 177.69 17.34 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.318 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -103.17 113.3 26.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.729 0.3 . . . . 0.0 111.007 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -78.75 155.59 29.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.745 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -62.44 140.26 58.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.682 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 92.49 -5.9 77.55 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.139 -179.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 700' ' ' VAL . . . . . 0.743 HG11 HG12 ' A' ' 690' ' ' ILE . 60.7 t -108.62 121.57 61.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.877 0.37 . . . . 0.0 110.365 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -67.32 -44.08 80.04 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.32 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 59.1 ttm-85 -149.64 144.93 26.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.781 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 37.0 p90 -116.33 148.41 40.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.989 0.423 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 704' ' ' ILE . . . . . 0.512 ' HB ' ' HG ' ' A' ' 691' ' ' LEU . 5.2 mp -119.43 100.44 49.67 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.99 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -72.87 152.97 52.9 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.771 2.314 . . . . 0.0 113.581 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . 0.816 HD23 HG23 ' A' ' 708' ' ' ILE . 81.0 mt -94.71 150.19 37.57 Favored Pre-proline 0 N--CA 1.465 0.304 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.708 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 707' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.03 152.07 97.79 Favored 'Cis proline' 0 C--N 1.352 0.737 0 C-N-CA 123.768 -1.347 . . . . 0.0 112.42 -0.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 708' ' ' ILE . . . . . 0.816 HG23 HD23 ' A' ' 706' ' ' LEU . 33.5 pt -107.98 153.94 9.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.12 0.486 . . . . 0.0 111.592 -179.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -113.44 146.42 35.32 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 710' ' ' PRO . . . . . 0.421 ' HA ' HD13 ' A' ' 632' ' ' ILE . 87.6 Cg_exo -53.21 -51.13 11.72 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.449 2.099 . . . . 0.0 113.634 -178.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.32 -40.67 90.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.409 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 70.2 m -63.16 -46.91 84.95 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.034 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 713' ' ' PHE . . . . . 0.675 ' HE1' HD11 ' A' ' 691' ' ' LEU . 80.0 t80 -60.33 -48.75 80.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.885 179.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 63.1 tp -60.41 -43.47 96.67 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.905 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -63.46 -42.26 98.63 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 121.115 -0.234 . . . . 0.0 111.14 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -65.12 -41.62 94.68 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.974 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 717' ' ' VAL . . . . . 0.501 ' O ' ' HG ' ' A' ' 721' ' ' LEU . 59.7 t -64.92 -45.46 94.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.963 179.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 90.6 m -60.89 -46.66 89.76 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.283 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.7 -37.81 87.49 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.451 178.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -63.21 -38.2 96.11 Favored Glycine 0 CA--C 1.519 0.318 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.549 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 721' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 717' ' ' VAL . 91.9 mt -77.88 -8.93 58.74 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 85.0 m -64.55 136.26 56.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 52.9 m 65.95 43.21 3.08 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.967 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 724' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.76 162.32 14.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.968 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -61.33 -39.33 90.14 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.884 0.373 . . . . 0.0 111.557 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 66.7 p -104.03 159.1 15.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.665 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 59.4 m -65.47 136.07 55.98 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.848 0.356 . . . . 0.0 111.284 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -155.93 156.24 34.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.236 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.873 179.502 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 120.998 0.428 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . 0.645 ' HB1' ' HB2' ' B' ' 5' ' ' ARG . . . -130.96 73.68 80.78 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.22 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -58.26 -40.71 73.6 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.034 2.489 . . . . 0.0 113.399 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.13 47.23 2.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.874 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.645 ' HB2' ' HB1' ' B' ' 2' ' ' ALA . 43.4 mtm105 -127.79 34.84 4.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.537 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -83.61 87.09 7.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.336 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.558 HG21 ' HB ' ' A' ' 634' ' ' THR . 71.4 p -128.83 158.56 38.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.671 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.451 ' HA ' ' O ' ' B' ' 69' ' ' LEU . . . -97.05 139.16 33.47 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 178.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 61.1 t -111.38 118.62 57.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.901 0.381 . . . . 0.0 111.436 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 5.9 mp -107.99 124.12 49.68 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.577 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.593 ' HB2' ' HB3' ' B' ' 66' ' ' ALA . 97.9 mttt -102.56 109.39 21.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.07 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.412 HD23 HD23 ' B' ' 25' ' ' LEU . 63.7 tp -98.3 120.48 38.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.209 0.528 . . . . 0.0 110.377 178.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -99.66 130.78 45.91 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.369 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.412 ' HA ' ' CG2' ' B' ' 62' ' ' THR . 22.5 m -133.39 167.14 27.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.788 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.13 130.5 35.53 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . 0.437 ' N ' HD12 ' B' ' 48' ' ' LEU . . . 76.97 -170.47 55.13 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.567 -0.742 . . . . 0.0 114.059 177.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.467 ' HB2' ' OE1' ' A' ' 649' ' ' GLU . 24.6 p-10 -116.44 24.58 11.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.253 -0.474 . . . . 0.0 110.603 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 67.6 p -70.68 153.82 94.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.744 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.425 ' HA ' ' HB ' ' B' ' 22' ' ' VAL . 31.7 Cg_endo -63.22 -23.7 72.6 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.264 1.976 . . . . 0.0 112.264 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -62.28 -43.92 97.73 Favored 'General case' 0 N--CA 1.46 0.072 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 75.5 m -70.17 -39.1 75.5 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.141 178.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.556 HG13 ' HB2' ' A' ' 653' ' ' ALA . 60.1 t -65.05 -46.86 90.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.812 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' B' ' 23' ' ' ARG . 37.7 ttp-105 -65.44 -35.42 80.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.11 -179.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.59 -40.83 84.33 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.148 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.593 HD22 HD11 ' A' ' 654' ' ' LEU . 71.4 mt -61.82 -43.0 99.72 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.888 178.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.11 -41.1 95.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.008 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 92.4 m -64.67 -47.14 79.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.828 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 60.5 tp -65.33 -43.0 92.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.562 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' B' ' 33' ' ' GLU . . . -61.26 -42.58 98.88 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -178.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -62.56 -41.68 99.06 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.791 HD11 ' HG3' ' B' ' 83' ' ' ARG . 91.9 mt -66.09 -45.89 89.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 -178.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.854 HD11 ' HG ' ' B' ' 90' ' ' LEU . 4.7 mp -86.75 -15.9 37.99 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -177.144 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.621 ' O ' ' HB3' ' B' ' 37' ' ' LYS . 88.2 tt0 -61.36 -40.52 94.61 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -179.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.587 ' O ' ' HG2' ' B' ' 37' ' ' LYS . 12.4 tppt? -96.53 -52.55 3.9 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -179.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -70.37 -38.59 74.77 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -178.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . 0.522 ' CE2' ' HB2' ' B' ' 94' ' ' ALA . 78.6 m-85 -109.93 25.26 11.99 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -177.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.621 ' HB3' ' O ' ' B' ' 33' ' ' GLU . 8.4 ptmm? -68.5 130.98 44.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.067 0.461 . . . . 0.0 112.002 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.92 0.86 90.53 Favored Glycine 0 CA--C 1.52 0.365 0 N-CA-C 114.818 0.687 . . . . 0.0 114.818 178.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 21.2 m -117.63 -20.3 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 118.174 0.987 . . . . 0.0 112.556 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . 0.707 ' CE2' ' HB3' ' B' ' 32' ' ' LEU . 1.4 p90 -133.15 153.4 51.56 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -179.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.09 146.98 44.65 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 175.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.409 ' HB3' HG23 ' A' ' 641' ' ' ILE . 0.6 OUTLIER -108.73 138.24 45.37 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.643 -0.423 . . . . 0.0 111.861 -177.544 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -128.08 136.99 51.96 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 61.0 t -121.59 125.29 73.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -178.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 4.0 mp -125.82 134.38 66.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.399 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -95.15 110.66 22.59 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 34.9 m -63.96 -28.58 45.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -177.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.437 HD12 ' N ' ' B' ' 16' ' ' GLY . 86.1 mt -68.96 -36.62 78.11 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 49.8 mmtm -70.03 -38.66 75.93 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.651 0.262 . . . . 0.0 111.398 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.631 ' OD1' ' HG2' ' B' ' 52' ' ' GLN . 20.4 t-20 -140.8 87.25 11.32 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -62.74 -24.51 74.69 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 123.086 2.524 . . . . 0.0 114.571 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.631 ' HG2' ' OD1' ' B' ' 50' ' ' ASN . 24.4 pt20 -67.73 -26.4 66.13 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.14 -179.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 93.4 mt -66.0 -41.44 91.04 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.818 0.342 . . . . 0.0 110.524 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.45 -40.77 93.63 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.545 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -65.19 -37.61 87.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.708 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -65.34 -40.31 93.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.194 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -96.22 9.22 41.71 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 64.2 mttp 56.8 48.62 15.75 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 44.6 mm -92.61 110.02 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.85 0.357 . . . . 0.0 110.354 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 89.7 mt -110.42 6.89 22.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.784 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -143.57 158.37 43.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.665 0.269 . . . . 0.0 110.936 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . 0.412 ' CG2' ' HA ' ' B' ' 14' ' ' VAL . 20.8 m -145.21 131.16 9.57 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.642 -0.253 . . . . 0.0 110.629 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -80.13 148.3 78.0 Favored 'Cis proline' 0 C--N 1.352 0.725 0 C-N-CA 124.7 -0.958 . . . . 0.0 112.934 -1.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 99.8 m -129.73 134.29 47.53 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.13 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 73.4 mt -99.24 125.5 44.85 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.42 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . 0.593 ' HB3' ' HB2' ' B' ' 11' ' ' LYS . . . -114.71 136.07 53.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.346 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.543 ' O ' HG13 ' B' ' 73' ' ' VAL . 86.9 tttt -102.88 122.33 44.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.14 179.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.592 HG21 ' HE3' ' B' ' 11' ' ' LYS . 46.5 t -94.42 -59.29 3.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.864 0.364 . . . . 0.0 111.02 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.52 ' HB2' ' HA ' ' B' ' 70' ' ' PRO . 2.3 pp -160.21 160.54 26.48 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.543 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . 0.52 ' HA ' ' HB2' ' B' ' 69' ' ' LEU . 51.1 Cg_endo -67.98 148.82 82.79 Favored 'Cis proline' 0 C--N 1.353 0.777 0 C-N-CA 123.834 -1.319 . . . . 0.0 113.047 0.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . 0.505 ' HD3' ' HA ' ' B' ' 70' ' ' PRO . 34.2 Cg_exo -61.33 165.35 13.09 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.415 2.744 . . . . 0.0 112.633 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -71.08 158.23 95.04 Favored 'Cis proline' 0 C--N 1.353 0.811 0 C-N-CA 124.47 -1.054 . . . . 0.0 114.824 2.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.543 HG13 ' O ' ' B' ' 67' ' ' LYS . 95.3 t -85.64 119.88 34.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.439 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.454 HH21 ' HZ3' ' B' ' 67' ' ' LYS . 91.2 mtm180 -135.78 160.7 37.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 -179.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 42.7 ptt85 -129.78 149.32 51.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.28 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 80.8 mt -114.02 121.74 66.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.956 0.408 . . . . 0.0 110.921 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.8 118.61 59.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.29 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 174.17 -173.84 46.14 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.22 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -85.56 102.69 13.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.069 0.461 . . . . 0.0 110.684 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' B' ' 80' ' ' LEU . 0.6 OUTLIER -68.92 -15.98 63.63 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.409 -179.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 83.9 p -65.59 -23.4 66.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.603 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.439 ' O ' HG23 ' B' ' 86' ' ' VAL . 61.9 t-20 -91.85 108.2 19.75 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . 0.791 ' HG3' HD11 ' B' ' 31' ' ' ILE . 62.1 ttp180 -60.84 -36.97 80.49 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.387 -179.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -57.02 -52.18 66.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.706 0.289 . . . . 0.0 111.515 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -64.82 -38.25 90.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.94 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 82' ' ' ASN . 77.4 t -61.54 -45.18 99.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.483 ' O ' ' HG2' ' B' ' 91' ' ' ARG . 64.8 tp -62.1 -46.01 90.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.279 178.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 87.1 mt -60.79 -47.52 92.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.634 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.51 -42.69 98.47 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.854 ' HG ' HD11 ' B' ' 32' ' ' LEU . 1.4 mm? -70.92 -37.25 72.89 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -178.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' B' ' 87' ' ' LEU . 56.0 mmm-85 -62.37 -38.89 91.31 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.622 0.248 . . . . 0.0 110.95 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.5 -39.89 95.64 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.548 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 6.7 mp -66.23 -38.24 87.43 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.274 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.522 ' HB2' ' CE2' ' B' ' 36' ' ' PHE . . . -60.93 -43.34 98.76 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.886 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -65.42 -40.9 93.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.977 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -66.83 -40.7 88.09 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.755 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.428 HD11 ' HG2' ' B' ' 70' ' ' PRO . 9.7 tp -74.41 -28.43 22.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-O 120.59 0.233 . . . . 0.0 111.34 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -62.5 -38.33 96.15 Favored Glycine 0 C--N 1.335 0.477 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.487 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -87.88 70.67 9.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.051 0.453 . . . . 0.0 110.372 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -118.03 116.66 27.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.363 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 50.5 mmtm 53.84 41.5 32.03 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 123.684 0.615 . . . . 0.0 111.918 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -90.97 105.15 17.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.563 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -156.16 159.62 39.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.279 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -89.76 104.22 16.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.61 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -90.53 102.38 15.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.549 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 64.8 tttm . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.121 -0.942 . . . . 0.0 110.472 179.948 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.917 0.389 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . 175.18 -174.05 46.56 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.625 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -78.92 149.31 32.4 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.822 0.344 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.593 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 49.1 mm -123.76 128.08 74.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.814 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 617' ' ' VAL . . . . . 0.728 HG22 ' HG3' ' A' ' 656' ' ' PRO . 22.3 m -120.48 146.33 25.51 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.034 178.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.648 HD22 ' CH2' ' A' ' 642' ' ' TRP . 1.6 tt -126.49 129.34 48.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.97 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 61.2 t -114.91 112.18 38.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.961 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 36.9 t -170.56 154.2 4.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.147 179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -92.45 0.8 57.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.07 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -83.05 105.44 14.04 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.987 0.422 . . . . 0.0 111.472 -178.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 51.2 mp0 -65.4 -28.7 69.44 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.595 -0.729 . . . . 0.0 112.716 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -60.76 -41.6 95.77 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.695 0.283 . . . . 0.0 111.675 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 9.1 p -75.55 -19.48 59.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.895 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 626' ' ' SER . . . . . 0.664 ' HA ' ' CZ3' ' A' ' 642' ' ' TRP . 67.3 m -61.21 -44.12 97.78 Favored 'General case' 0 N--CA 1.462 0.127 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -178.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 39.3 m -85.1 -44.57 12.87 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 69.0 tp -61.03 -51.09 70.66 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -177.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 629' ' ' ILE . . . . . . . . . . . . . 62.1 mt -72.19 -27.81 27.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 630' ' ' CYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 626' ' ' SER . 42.1 t -57.25 -50.6 72.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.284 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 90.0 p -68.02 -35.29 78.05 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.825 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 632' ' ' ILE . . . . . 0.642 ' HA ' HD11 ' B' ' 4' ' ' LEU . 79.6 mt -61.2 -49.1 85.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 633' ' ' LEU . . . . . 0.532 HD12 HG22 ' A' ' 632' ' ' ILE . 5.5 mp -88.78 -39.12 14.14 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 -178.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . 0.516 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 91.3 m -64.15 -42.22 96.87 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -177.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 635' ' ' THR . . . . . 0.731 HG21 ' H ' ' B' ' 5' ' ' ARG . 78.8 p -68.36 -19.46 64.64 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -178.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -81.72 0.8 37.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.598 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 98.62 8.08 54.93 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.762 -0.733 . . . . 0.0 113.037 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 638' ' ' TYR . . . . . 0.516 ' O ' ' HA ' ' A' ' 634' ' ' THR . 13.0 m-30 -99.3 149.98 22.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.842 0.353 . . . . 0.0 110.559 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.8 108.66 19.96 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 640' ' ' VAL . . . . . 0.593 ' HA ' ' O ' ' A' ' 616' ' ' ILE . 58.0 t -101.39 126.85 55.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.331 0.586 . . . . 0.0 112.552 -178.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 641' ' ' ILE . . . . . 0.528 ' HB ' HG12 ' A' ' 617' ' ' VAL . 85.1 mt -118.42 124.02 72.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.221 -0.9 . . . . 0.0 108.707 177.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 642' ' ' TRP . . . . . 0.664 ' CZ3' ' HA ' ' A' ' 626' ' ' SER . 12.2 t-105 -93.07 120.57 33.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.771 0.32 . . . . 0.0 110.527 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . 0.454 HD12 HD23 ' A' ' 651' ' ' LEU . 84.6 mt -115.94 143.88 44.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.377 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 17.9 m -79.74 150.16 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.867 0.365 . . . . 0.0 110.417 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . 0.507 ' OD1' ' HA3' ' A' ' 668' ' ' GLY . 11.5 t70 -67.62 148.75 50.97 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -177.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 102.82 -11.09 56.09 Favored Glycine 0 C--N 1.335 0.485 0 CA-C-N 115.568 -0.742 . . . . 0.0 114.036 178.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -114.53 94.29 4.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 117.668 0.734 . . . . 0.0 112.768 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 93.1 t -70.77 -37.74 70.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.691 178.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 649' ' ' GLU . . . . . 0.469 ' OE1' ' HB2' ' B' ' 17' ' ' ASN . 98.2 mt-10 -58.19 -34.24 70.13 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.52 179.252 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 88.0 mmt-85 -61.97 -39.84 93.56 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 177.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.616 HD13 HD21 ' A' ' 677' ' ' LEU . 96.1 mt -66.79 -40.95 88.32 Favored 'General case' 0 C--O 1.227 -0.122 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.371 178.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.477 ' HA ' HG23 ' A' ' 655' ' ' THR . 89.5 mt -67.38 -40.93 85.72 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.979 179.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . 0.466 ' HB2' HG13 ' B' ' 22' ' ' VAL . . . -60.39 -40.13 89.79 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.358 0.599 . . . . 0.0 111.362 179.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . 0.635 HD11 HD22 ' B' ' 25' ' ' LEU . 87.5 mt -108.93 30.06 6.89 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.561 -179.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 655' ' ' THR . . . . . 0.477 HG23 ' HA ' ' A' ' 652' ' ' LEU . 0.0 OUTLIER -34.13 101.52 0.2 Allowed Pre-proline 0 N--CA 1.476 0.845 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -178.083 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 656' ' ' PRO . . . . . 0.728 ' HG3' HG22 ' A' ' 617' ' ' VAL . 41.8 Cg_endo -88.92 177.81 2.89 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 123.861 3.041 . . . . 0.0 112.394 179.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 43.1 pt -83.34 -22.02 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.272 0.558 . . . . 0.0 109.658 177.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . 0.484 ' HB2' HD21 ' A' ' 721' ' ' LEU . . . -154.49 151.48 28.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.481 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.74 HG13 HD11 ' A' ' 686' ' ' LEU . 29.6 m -120.12 143.75 30.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.825 0.345 . . . . 0.0 110.504 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.732 HD23 ' HB2' ' A' ' 689' ' ' PHE . 84.1 mt -115.63 122.83 46.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.487 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 74.1 mt -116.6 127.09 54.15 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -109.37 117.11 33.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.864 0.364 . . . . 0.0 111.828 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . 0.419 ' HB3' ' HA ' ' A' ' 664' ' ' PRO . 81.3 mm-40 -80.87 159.71 68.1 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.983 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 664' ' ' PRO . . . . . 0.419 ' HA ' ' HB3' ' A' ' 663' ' ' GLU . 68.7 Cg_endo -83.73 158.21 71.82 Favored 'Cis proline' 0 C--N 1.352 0.735 0 C-N-CA 124.219 -1.159 . . . . 0.0 113.737 -0.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 665' ' ' PHE . . . . . 0.46 ' CD1' ' HB ' ' A' ' 670' ' ' VAL . 5.3 m-30 -102.8 90.93 3.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.466 178.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 70.6 m -64.61 -39.87 94.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.112 0.482 . . . . 0.0 110.404 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -112.81 121.02 43.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.251 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . 0.507 ' HA3' ' OD1' ' A' ' 645' ' ' ASP . . . 95.95 149.25 25.39 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.771 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -95.95 113.61 25.25 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 122.832 -0.216 . . . . 0.0 110.635 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 670' ' ' VAL . . . . . 0.46 ' HB ' ' CD1' ' A' ' 665' ' ' PHE . 7.2 p -58.99 -37.52 68.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -64.48 -39.56 94.03 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.837 0.351 . . . . 0.0 110.633 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 55.0 tp10 -65.91 -43.33 88.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.367 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 62.3 tp -62.31 -45.88 91.26 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.026 -178.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 34.2 m -67.21 -33.29 61.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.115 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -61.02 -45.72 93.64 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.07 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -62.46 -40.12 95.59 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.252 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . 0.616 HD21 HD13 ' A' ' 651' ' ' LEU . 87.3 mt -62.76 -40.77 98.3 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.95 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -64.01 -38.66 91.9 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.16 0.505 . . . . 0.0 110.947 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.13 -37.81 84.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.337 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 15.1 mmp_? -87.83 -38.99 15.22 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 -177.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 72.7 m -126.77 146.01 50.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.162 0.506 . . . . 0.0 112.232 -178.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 63.5 p -76.33 156.39 83.57 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.193 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.18 -29.36 88.89 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.388 2.059 . . . . 0.0 113.241 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -75.39 -26.16 58.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.792 0.33 . . . . 0.0 110.869 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -89.13 -37.47 15.04 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.306 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 686' ' ' LEU . . . . . 0.74 HD11 HG13 ' A' ' 659' ' ' VAL . 60.8 tp -136.6 126.77 26.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 687' ' ' LYS . . . . . 0.415 ' HE2' ' HB2' ' A' ' 724' ' ' LEU . 68.8 mttm -104.49 148.14 26.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 688' ' ' ILE . . . . . . . . . . . . . 2.5 mp -114.54 120.3 63.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.175 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 689' ' ' PHE . . . . . 0.732 ' HB2' HD23 ' A' ' 660' ' ' LEU . 97.4 m-85 -116.77 134.29 54.97 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 84.4 mt -122.91 130.75 74.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.293 0.568 . . . . 0.0 111.732 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 691' ' ' LEU . . . . . 0.493 HD21 HD12 ' A' ' 708' ' ' ILE . 0.7 OUTLIER -95.89 135.67 37.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.983 179.798 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 81.58 20.08 64.72 Favored Glycine 0 CA--C 1.519 0.281 0 C-N-CA 120.703 -0.761 . . . . 0.0 113.743 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 88.6 p -118.45 153.08 34.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 117.047 0.424 . . . . 0.0 110.876 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -148.91 144.19 26.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.021 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . 129.22 -9.11 6.27 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.485 -0.864 . . . . 0.0 113.395 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 55.2 t30 55.2 52.21 11.96 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 120.939 0.4 . . . . 0.0 111.42 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -68.96 148.94 49.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.382 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -69.84 150.58 46.67 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.079 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 92.59 -5.57 77.14 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.935 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 61.7 t -115.78 123.99 71.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -64.36 -46.24 84.27 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.724 0.297 . . . . 0.0 111.474 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 702' ' ' ARG . . . . . 0.41 ' HB3' ' CD2' ' A' ' 689' ' ' PHE . 41.0 ttm180 -161.18 147.89 14.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.6 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -114.41 148.65 37.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.287 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 704' ' ' ILE . . . . . 0.403 HG21 ' HD1' ' A' ' 713' ' ' PHE . 25.9 mm -102.94 115.4 64.21 Favored Pre-proline 0 C--O 1.235 0.333 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -72.44 154.04 55.56 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.827 2.352 . . . . 0.0 113.089 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . 0.465 ' HA ' ' C ' ' A' ' 707' ' ' PRO . 5.1 mp -112.41 159.34 34.38 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.543 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 707' ' ' PRO . . . . . 0.465 ' C ' ' HA ' ' A' ' 706' ' ' LEU . 39.0 Cg_endo -65.57 149.33 75.95 Favored 'Cis proline' 0 C--N 1.354 0.86 0 C-N-CA 123.904 -1.29 . . . . 0.0 113.184 1.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 708' ' ' ILE . . . . . 0.493 HD12 HD21 ' A' ' 691' ' ' LEU . 14.4 tt -82.06 133.55 28.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.897 -178.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -118.31 148.03 42.99 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -54.54 -58.26 1.36 Allowed 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.766 2.311 . . . . 0.0 114.423 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -71.33 -29.68 65.3 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 68.7 m -64.17 -47.58 79.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.269 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 713' ' ' PHE . . . . . 0.647 ' HZ ' HD13 ' A' ' 660' ' ' LEU . 85.9 t80 -61.49 -49.66 75.86 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.205 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 66.4 tp -61.89 -46.63 88.56 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -65.05 -41.65 94.99 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -178.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -64.8 -42.69 94.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.634 0.254 . . . . 0.0 111.03 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 717' ' ' VAL . . . . . . . . . . . . . 71.8 t -67.47 -44.94 86.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.219 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 90.8 m -60.94 -46.95 88.62 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.419 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -37.89 88.65 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.804 179.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -63.85 -38.52 96.25 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.581 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 721' ' ' LEU . . . . . 0.484 HD21 ' HB2' ' A' ' 658' ' ' ALA . 97.8 mt -75.25 -9.48 58.59 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 -178.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 82.1 p -65.39 -30.28 71.08 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.935 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 88.0 p -68.46 -36.46 79.03 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.656 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 724' ' ' LEU . . . . . 0.415 ' HB2' ' HE2' ' A' ' 687' ' ' LYS . 2.3 tt -64.32 -46.89 81.53 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.01 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -158.57 149.73 20.65 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 9.7 t -148.9 151.38 34.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.646 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 93.5 p -88.55 -11.3 46.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.445 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -149.25 151.65 34.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.973 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.779 -179.932 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ptm . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.57 0.224 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.77 65.06 6.86 Favored Pre-proline 0 N--CA 1.471 0.613 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.277 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_exo -59.66 141.05 96.4 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.726 2.284 . . . . 0.0 112.617 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.642 HD11 ' HA ' ' A' ' 632' ' ' ILE . 1.5 tt -92.13 133.59 35.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.302 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.731 ' H ' HG21 ' A' ' 635' ' ' THR . 0.0 OUTLIER -149.0 174.57 12.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.659 -179.129 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.52 142.28 55.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.032 0.444 . . . . 0.0 110.897 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 79.3 p -123.21 159.98 27.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.553 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.55 143.92 26.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.712 0.291 . . . . 0.0 110.425 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 59.1 t -119.12 125.91 74.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.99 0.424 . . . . 0.0 111.153 -178.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 81.7 mt -98.11 129.69 44.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.892 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.76 ' HB2' ' HB3' ' B' ' 66' ' ' ALA . 35.9 mmtp -100.9 109.35 21.29 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.358 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.418 ' HB2' HD11 ' B' ' 42' ' ' LEU . 65.9 tp -101.17 113.79 27.15 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.025 0.44 . . . . 0.0 110.475 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' TYR . . . . . 0.554 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 86.5 m-85 -98.77 127.61 44.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.069 178.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.664 HG12 ' HB3' ' B' ' 63' ' ' PRO . 27.0 m -129.7 163.52 34.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.52 121.25 26.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 111.638 -179.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.6 -176.6 54.62 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.078 -0.582 . . . . 0.0 113.293 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.469 ' HB2' ' OE1' ' A' ' 649' ' ' GLU . 24.3 p-10 -113.54 30.56 7.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.977 0.418 . . . . 0.0 110.814 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 61.4 p -70.22 156.87 91.15 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.275 -179.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -54.59 -33.25 78.18 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 123.012 2.475 . . . . 0.0 113.018 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -60.18 -42.31 94.74 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.019 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 99.6 p -71.39 -37.91 71.52 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.036 0.446 . . . . 0.0 110.527 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.466 HG13 ' HB2' ' A' ' 653' ' ' ALA . 74.6 t -67.04 -47.07 83.16 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.881 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 91.5 mtm180 -67.03 -35.22 79.42 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.43 -39.53 83.81 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.629 0.252 . . . . 0.0 110.824 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.635 HD22 HD11 ' A' ' 654' ' ' LEU . 81.2 mt -60.93 -44.09 97.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.945 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -64.65 -40.09 94.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.775 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 93.0 m -63.32 -47.0 84.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.056 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.814 HD11 HD12 ' B' ' 80' ' ' LEU . 6.8 mp -69.94 -39.24 76.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.695 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.43 96.07 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.843 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -62.52 -41.36 98.8 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.896 0.379 . . . . 0.0 111.115 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.565 HD11 ' HG3' ' B' ' 83' ' ' ARG . 97.7 mt -69.59 -44.65 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.354 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 86.9 mt -68.85 -37.12 78.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.681 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.449 ' O ' ' HB2' ' B' ' 37' ' ' LYS . 88.7 tt0 -62.67 -42.1 99.43 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -98.28 -62.41 1.25 Allowed 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -178.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -66.44 -39.67 89.04 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 -177.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.94 37.85 3.17 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -177.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' B' ' 33' ' ' GLU . 40.4 ttpt -70.0 125.65 27.37 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -178.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.12 14.16 82.09 Favored Glycine 0 C--N 1.334 0.454 0 CA-C-N 115.701 -0.681 . . . . 0.0 114.321 178.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.8 t -121.83 -48.21 2.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-N 117.615 0.707 . . . . 0.0 112.462 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -121.73 141.17 51.44 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -177.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.65 155.28 23.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.877 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.418 HD11 ' HB2' ' B' ' 12' ' ' LEU . 62.6 tp -118.89 133.73 55.64 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.473 ' HG3' ' HB3' ' A' ' 642' ' ' TRP . 87.8 tttt -122.58 130.6 53.18 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 177.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.481 HG21 HD21 ' B' ' 25' ' ' LEU . 59.6 t -116.09 126.69 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -177.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.2 mp -124.61 134.56 66.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.422 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -91.33 111.8 23.45 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 35.1 m -63.85 -29.21 46.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -178.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 85.6 mt -67.34 -37.97 84.13 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.931 -0.307 . . . . 0.0 111.441 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.45 -39.56 70.9 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.33 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.409 ' OD1' ' HG ' ' B' ' 53' ' ' LEU . 32.6 t-20 -136.75 86.11 22.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 179.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -67.52 -17.53 48.64 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.927 2.418 . . . . 0.0 113.391 -179.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.54 ' O ' ' HG2' ' B' ' 56' ' ' GLU . 4.5 mt-30 -66.11 -36.81 84.14 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.857 0.361 . . . . 0.0 110.352 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.409 ' HG ' ' OD1' ' B' ' 50' ' ' ASN . 85.0 mt -64.16 -41.3 97.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.135 -179.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.85 -39.81 94.16 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.963 0.411 . . . . 0.0 110.797 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -65.83 -32.12 73.46 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.377 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' B' ' 52' ' ' GLN . 79.3 mm-40 -64.9 -38.56 91.39 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.148 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -99.13 6.97 46.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.117 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt 55.99 43.5 27.11 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.277 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 88.8 mt -109.86 121.04 62.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.862 0.363 . . . . 0.0 111.043 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.8 mp -118.19 12.65 13.58 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.421 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -128.67 140.45 51.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.644 0.259 . . . . 0.0 110.969 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 73.6 p -143.41 149.71 48.79 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.051 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . 0.664 ' HB3' HG12 ' B' ' 14' ' ' VAL . 88.7 Cg_endo -80.14 142.91 63.84 Favored 'Cis proline' 0 C--N 1.35 0.612 0 C-N-CA 123.554 -1.436 . . . . 0.0 112.615 -1.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 23.9 p -137.37 156.22 48.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.893 0.378 . . . . 0.0 111.588 179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 83.5 mt -108.97 128.69 55.16 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.774 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . 0.76 ' HB3' ' HB2' ' B' ' 11' ' ' LYS . . . -116.74 134.92 54.22 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.537 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' B' ' 73' ' ' VAL . 86.5 tttt -101.29 118.07 36.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.872 178.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.488 HG12 ' HG ' ' B' ' 69' ' ' LEU . 61.8 t -112.23 -57.75 3.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.892 0.377 . . . . 0.0 110.671 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.488 ' HG ' HG12 ' B' ' 68' ' ' VAL . 89.2 mt -129.31 132.36 24.24 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -77.24 159.97 94.71 Favored 'Cis proline' 0 C--N 1.348 0.507 0 C-N-CA 123.579 -1.425 . . . . 0.0 112.481 -0.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -65.09 165.93 20.3 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 123.226 2.618 . . . . 0.0 112.312 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -76.98 163.42 89.53 Favored 'Cis proline' 0 C--N 1.354 0.82 0 C-N-CA 124.342 -1.108 . . . . 0.0 114.581 1.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.442 ' HA ' ' O ' ' B' ' 67' ' ' LYS . 83.4 t -84.23 122.17 37.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.162 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -150.7 150.31 30.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.104 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 31.3 ptt-85 -116.92 149.51 40.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.944 0.402 . . . . 0.0 111.159 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 81.3 mt -115.51 124.95 72.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.435 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 81.1 mt -114.61 124.93 71.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.113 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 179.38 -168.03 38.4 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.125 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -86.42 98.8 11.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.868 0.366 . . . . 0.0 110.39 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.814 HD12 HD11 ' B' ' 28' ' ' LEU . 2.6 mm? -73.39 -21.14 60.58 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.403 -179.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 79.9 p -71.74 -16.61 62.22 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.795 0.331 . . . . 0.0 111.225 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.445 ' O ' HG23 ' B' ' 86' ' ' VAL . 50.6 t-20 -92.07 110.32 21.69 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . 0.565 ' HG3' HD11 ' B' ' 31' ' ' ILE . 43.7 ttm180 -60.22 -38.24 82.78 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.973 -178.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.32 -44.38 92.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.605 0.24 . . . . 0.0 110.94 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -37.67 73.67 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.546 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.445 HG23 ' O ' ' B' ' 82' ' ' ASN . 79.1 t -62.09 -43.57 97.9 Favored 'Isoleucine or valine' 0 C--O 1.231 0.109 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 22.2 mt -61.69 -41.08 97.09 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.41 178.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 92.6 mt -61.59 -48.8 87.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.686 0.279 . . . . 0.0 111.06 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.99 -42.68 89.47 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 7.3 mp -73.38 -35.98 65.99 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 45.3 tpt85 -61.35 -39.21 89.76 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 120.866 0.365 . . . . 0.0 110.393 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.43 -37.9 87.63 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.224 178.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 87.1 mt -61.8 -37.12 83.21 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.594 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.13 -41.04 96.0 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.169 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.95 -40.23 94.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.564 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -66.38 -41.48 89.36 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.721 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 8.5 tp -73.87 -28.74 24.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 120.766 0.317 . . . . 0.0 111.474 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -80.49 -9.81 86.03 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.837 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -85.53 72.74 10.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.92 0.39 . . . . 0.0 110.535 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -137.3 129.67 29.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.455 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -95.49 122.46 38.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.422 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -91.01 102.73 15.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.626 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -90.45 100.91 13.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.485 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -91.04 102.63 15.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.573 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -157.08 160.12 38.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.24 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt . . . . . 0 C--O 1.251 1.135 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.834 -179.961 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.929 0.395 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . -138.1 154.93 23.07 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.7 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -86.76 132.99 33.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.63 0.252 . . . . 0.0 110.655 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.477 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 95.7 mt -126.06 127.48 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.19 178.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 617' ' ' VAL . . . . . 0.559 HG23 ' HB3' ' A' ' 656' ' ' PRO . 87.8 t -110.94 125.0 68.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.211 0.529 . . . . 0.0 110.595 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.608 HD21 ' HA ' ' A' ' 626' ' ' SER . 60.3 tp -108.2 121.98 45.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.068 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 58.7 t -114.63 108.22 24.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.014 0.435 . . . . 0.0 110.396 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 40.7 t -158.05 138.06 12.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.879 179.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -75.12 -14.76 60.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.403 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -90.21 105.65 17.95 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -67.26 -30.14 69.95 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -178.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.27 92.57 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.895 0.379 . . . . 0.0 111.429 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 85.7 m -69.34 -41.17 76.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.137 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 626' ' ' SER . . . . . 0.608 ' HA ' HD21 ' A' ' 618' ' ' LEU . 66.8 m -61.67 -42.12 98.48 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.028 -179.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 88.9 m -63.04 -44.32 96.21 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.942 0.401 . . . . 0.0 110.578 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 66.7 tp -62.33 -47.65 83.31 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.031 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 629' ' ' ILE . . . . . . . . . . . . . 37.4 mm -63.0 -42.97 98.71 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.501 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 51.1 t -59.81 -47.86 84.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.876 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 86.8 p -62.74 -37.24 85.78 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.53 -45.69 97.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 CA-C-O 120.841 0.353 . . . . 0.0 111.765 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 633' ' ' LEU . . . . . 0.5 HD11 HG11 ' A' ' 717' ' ' VAL . 1.1 mp -85.05 -35.85 21.61 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -178.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . 0.627 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 91.0 m -62.46 -45.24 93.97 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -178.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 635' ' ' THR . . . . . 0.822 HG21 ' HA ' ' B' ' 4' ' ' LEU . 0.2 OUTLIER -74.52 -8.31 55.89 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 122.015 -0.428 . . . . 0.0 111.604 -179.229 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -87.32 4.88 41.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.397 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 101.26 -1.54 54.2 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.962 -0.637 . . . . 0.0 113.097 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 638' ' ' TYR . . . . . 0.627 ' O ' ' HA ' ' A' ' 634' ' ' THR . 88.6 m-85 -99.93 152.61 19.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.841 0.353 . . . . 0.0 110.874 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -106.04 111.58 24.27 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 640' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 616' ' ' ILE . 57.7 t -99.07 129.31 49.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -178.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 641' ' ' ILE . . . . . 0.589 HD13 HD13 ' A' ' 654' ' ' LEU . 93.9 mt -117.25 124.32 72.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.144 177.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 642' ' ' TRP . . . . . 0.489 ' HB3' ' HD3' ' B' ' 43' ' ' LYS . 73.3 t90 -93.28 115.5 28.09 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 61.4 tp -115.07 137.36 52.09 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.735 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 16.7 m -74.12 145.13 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -63.91 152.12 40.7 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -177.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 103.33 -10.29 54.18 Favored Glycine 0 C--N 1.335 0.518 0 CA-C-N 115.465 -0.789 . . . . 0.0 114.131 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -114.56 102.73 10.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 117.842 0.821 . . . . 0.0 113.199 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 96.1 t -83.81 -35.41 11.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.455 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -58.98 -38.56 79.42 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.755 0.312 . . . . 0.0 110.249 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -63.42 -37.66 88.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.041 177.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.683 HD13 HD21 ' A' ' 677' ' ' LEU . 87.6 mt -64.25 -41.09 97.13 Favored 'General case' 0 C--O 1.227 -0.117 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.002 178.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.572 HD21 ' HB3' ' A' ' 680' ' ' ARG . 87.6 mt -68.31 -39.93 81.88 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.448 178.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . 0.406 ' HB2' HG13 ' B' ' 22' ' ' VAL . . . -60.98 -40.5 93.68 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.56 179.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . 0.653 HD11 HD22 ' B' ' 25' ' ' LEU . 86.2 mt -108.41 29.76 7.07 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.158 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 655' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -29.62 101.56 0.15 Allowed Pre-proline 0 N--CA 1.475 0.805 0 O-C-N 124.468 1.105 . . . . 0.0 113.868 -178.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 656' ' ' PRO . . . . . 0.559 ' HB3' HG23 ' A' ' 617' ' ' VAL . 43.8 Cg_endo -87.35 171.76 6.27 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 123.685 2.923 . . . . 0.0 112.817 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 47.0 pt -81.08 -24.26 10.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.482 0.658 . . . . 0.0 109.433 177.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -158.32 152.39 24.0 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.413 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.649 HG13 HD11 ' A' ' 686' ' ' LEU . 19.2 m -121.94 145.63 28.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.794 0.331 . . . . 0.0 110.323 178.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.574 HD23 ' HB2' ' A' ' 689' ' ' PHE . 81.3 mt -118.43 125.34 49.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . 0.552 HD13 HG13 ' A' ' 670' ' ' VAL . 70.8 mt -116.31 128.26 55.4 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 178.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -111.93 126.92 55.64 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -178.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . 0.441 ' HB3' ' HA ' ' A' ' 664' ' ' PRO . 94.9 mt-10 -92.03 160.49 35.57 Favored Pre-proline 0 CA--C 1.535 0.374 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.781 178.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 664' ' ' PRO . . . . . 0.441 ' HA ' ' HB3' ' A' ' 663' ' ' GLU . 90.6 Cg_endo -81.36 158.28 82.55 Favored 'Cis proline' 0 C--N 1.353 0.815 0 C-N-CA 124.57 -1.013 . . . . 0.0 113.472 -0.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -117.32 128.66 55.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.64 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 79.2 p -99.61 -23.42 15.06 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.037 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -129.03 137.31 51.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.616 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 88.49 143.32 9.04 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.51 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 669' ' ' ASP . . . . . 0.661 ' O ' ' HG2' ' A' ' 672' ' ' GLU . 34.0 t70 -96.92 111.38 23.61 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 122.537 -0.39 . . . . 0.0 110.194 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 670' ' ' VAL . . . . . 0.552 HG13 HD13 ' A' ' 661' ' ' LEU . 54.5 t -60.76 -40.64 85.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.734 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -60.93 -39.41 89.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.349 -0.387 . . . . 0.0 112.039 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . 0.661 ' HG2' ' O ' ' A' ' 669' ' ' ASP . 10.3 pt-20 -66.73 -35.3 79.79 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.849 0.357 . . . . 0.0 110.144 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 673' ' ' LEU . . . . . 0.419 HD11 HD11 ' A' ' 651' ' ' LEU . 55.6 tp -66.84 -44.82 80.05 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.207 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 68.1 t -62.18 -45.84 97.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.746 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -59.41 -45.54 91.23 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.489 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . 0.498 ' O ' ' HG2' ' A' ' 680' ' ' ARG . 76.9 mt-30 -66.18 -41.16 90.66 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . 0.683 HD21 HD13 ' A' ' 651' ' ' LEU . 83.5 mt -63.84 -41.1 97.89 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -178.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -68.17 -20.26 64.86 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -92.55 -16.95 25.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.686 0.279 . . . . 0.0 111.196 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 680' ' ' ARG . . . . . 0.572 ' HB3' HD21 ' A' ' 652' ' ' LEU . 41.7 mmt180 -89.5 -40.76 12.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.424 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 74.2 m -131.48 154.86 48.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.74 0.305 . . . . 0.0 111.217 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 58.6 p -75.03 154.14 86.62 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.419 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -61.62 -28.41 82.68 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.374 2.049 . . . . 0.0 113.306 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -73.52 -29.61 62.58 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.81 0.338 . . . . 0.0 110.763 179.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -88.47 -37.55 15.7 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.275 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 686' ' ' LEU . . . . . 0.649 HD11 HG13 ' A' ' 659' ' ' VAL . 62.7 tp -136.73 123.24 20.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.12 0.486 . . . . 0.0 111.357 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 13.2 mtmm -109.45 148.52 31.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.702 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 688' ' ' ILE . . . . . . . . . . . . . 78.5 mt -115.19 124.79 72.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.979 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 689' ' ' PHE . . . . . 0.574 ' HB2' HD23 ' A' ' 660' ' ' LEU . 99.2 m-85 -124.06 142.92 50.77 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.258 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 91.7 mt -120.41 129.25 75.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.007 0.432 . . . . 0.0 111.163 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 691' ' ' LEU . . . . . 0.535 HD23 HD13 ' A' ' 708' ' ' ILE . 7.8 mp -94.88 127.23 40.76 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 124.81 166.21 12.34 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.543 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 91.2 p -73.56 158.0 35.66 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.471 0.136 . . . . 0.0 110.965 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 55.04 40.68 32.06 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 123.46 0.475 . . . . 0.0 111.38 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . -99.1 15.19 60.77 Favored Glycine 0 CA--C 1.518 0.229 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.868 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -83.63 93.82 7.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.942 0.401 . . . . 0.0 110.915 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -126.29 160.2 31.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.13 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -66.84 141.72 57.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.398 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 85.21 3.07 87.56 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.331 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 65.1 t -110.5 125.57 67.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -65.26 -43.24 91.94 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 46.6 ttt85 -168.27 161.42 12.17 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.81 0.338 . . . . 0.0 111.502 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -118.66 149.48 41.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.066 178.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 5.0 mm -106.53 107.59 60.37 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.932 -179.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -61.14 143.74 98.87 Favored 'Trans proline' 0 N--CA 1.478 0.582 0 C-N-CA 123.142 2.561 . . . . 0.0 113.286 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . 0.827 HD23 HG23 ' A' ' 708' ' ' ILE . 88.4 mt -103.2 153.82 38.11 Favored Pre-proline 0 N--CA 1.466 0.36 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.438 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 707' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -71.09 151.17 94.52 Favored 'Cis proline' 0 C--N 1.354 0.836 0 C-N-CA 124.571 -1.012 . . . . 0.0 112.73 -1.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 708' ' ' ILE . . . . . 0.827 HG23 HD23 ' A' ' 706' ' ' LEU . 34.2 pt -107.12 139.21 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.213 0.53 . . . . 0.0 111.91 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -120.6 151.64 54.43 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 177.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -51.03 -41.87 55.0 Favored 'Trans proline' 0 N--CA 1.479 0.649 0 C-N-CA 123.143 2.562 . . . . 0.0 114.505 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.3 -39.55 83.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.642 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 40.1 m -88.55 -41.61 12.59 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 713' ' ' PHE . . . . . 0.434 ' HE1' HD11 ' A' ' 691' ' ' LEU . 83.1 t80 -60.05 -49.48 77.48 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 63.8 tp -62.97 -45.55 91.92 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -66.17 -40.7 90.67 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.656 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -64.72 -42.61 95.12 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.589 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 717' ' ' VAL . . . . . 0.53 ' O ' ' HG ' ' A' ' 721' ' ' LEU . 8.9 p -70.02 -36.51 68.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.941 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 95.3 m -62.61 -45.42 92.97 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.862 0.363 . . . . 0.0 110.792 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 38.9 mmt -62.71 -39.28 93.53 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.064 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -67.94 -21.94 73.68 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.747 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 721' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 717' ' ' VAL . 94.1 mt -91.37 -1.5 57.59 Favored 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -179.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 67.3 p -69.2 -26.8 65.01 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 121.026 -0.27 . . . . 0.0 111.231 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 90.5 p -65.58 -23.99 66.97 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.743 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 724' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.3 4.45 41.67 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.124 0.488 . . . . 0.0 110.648 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . 63.77 54.05 1.88 Allowed 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 96.3 m -119.58 125.98 50.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.752 0.311 . . . . 0.0 110.733 178.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 87.2 p -83.55 168.76 16.12 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.383 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -135.81 150.3 49.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.68 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.973 -179.896 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ptm . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 121.073 0.463 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . 0.402 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . . . -78.86 123.43 85.2 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.032 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' B' ' 2' ' ' ALA . 54.3 Cg_exo -57.35 -36.53 98.89 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 123.007 2.471 . . . . 0.0 113.166 179.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.822 ' HA ' HG21 ' A' ' 635' ' ' THR . 1.1 mp -109.46 169.49 8.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.351 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 66.85 26.18 9.38 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.573 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.97 95.59 3.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.313 179.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.46 HG21 ' HB ' ' A' ' 634' ' ' THR . 80.9 p -128.26 156.49 42.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.886 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -102.25 142.88 32.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.072 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.5 t -112.74 119.12 59.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -178.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.61 ' HB3' HD11 ' B' ' 65' ' ' LEU . 82.9 mt -108.05 129.88 55.11 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.855 178.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.743 ' HB2' ' HB3' ' B' ' 66' ' ' ALA . 68.8 mttm -102.69 136.66 42.11 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.897 0.379 . . . . 0.0 110.942 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 66.4 tp -124.51 120.12 31.09 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -103.81 128.61 51.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.997 178.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.4 m -132.94 164.92 33.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.817 -179.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.464 ' HB1' HD23 ' B' ' 48' ' ' LEU . . . -142.07 143.54 33.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 111.542 -178.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.93 -178.08 53.74 Favored Glycine 0 N--CA 1.452 -0.281 0 CA-C-N 115.842 -0.617 . . . . 0.0 113.135 178.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -122.15 21.06 10.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.797 0.332 . . . . 0.0 110.916 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 64.6 p -71.09 155.2 93.54 Favored Pre-proline 0 C--O 1.235 0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.5 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -55.56 -34.45 89.95 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 123.283 2.655 . . . . 0.0 113.277 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -60.48 -42.63 96.68 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.886 0.374 . . . . 0.0 110.63 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 67.5 m -68.17 -39.89 82.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.506 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.406 HG13 ' HB2' ' A' ' 653' ' ' ALA . 75.9 t -67.74 -44.25 85.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.317 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' B' ' 23' ' ' ARG . 37.6 ttp-105 -64.4 -30.46 71.5 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.883 -179.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.87 -40.67 85.08 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.854 -0.157 . . . . 0.0 110.99 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.653 HD22 HD11 ' A' ' 654' ' ' LEU . 59.8 mt -61.82 -43.05 99.62 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.716 0.294 . . . . 0.0 110.73 178.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -64.36 -41.19 96.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.037 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 89.5 m -63.82 -47.83 79.25 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.913 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 86.5 mt -66.95 -39.96 87.42 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.181 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.562 ' O ' ' HG2' ' B' ' 33' ' ' GLU . . . -61.28 -40.02 92.57 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.27 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -59.97 -43.1 95.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.979 0.419 . . . . 0.0 110.754 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.605 HD11 HG13 ' B' ' 86' ' ' VAL . 95.6 mt -69.59 -43.23 80.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.737 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.466 ' HA ' ' HB2' ' B' ' 36' ' ' PHE . 95.1 mt -66.6 -38.36 86.83 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.364 -178.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.562 ' HG2' ' O ' ' B' ' 29' ' ' ALA . 78.4 mm-40 -62.71 -38.23 89.64 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -178.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -88.51 -52.07 5.37 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 114.79 1.404 . . . . 0.0 114.79 -177.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -96.29 -14.69 22.42 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -176.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' B' ' 94' ' ' ALA . 86.0 m-85 -120.33 22.54 11.29 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -177.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' B' ' 33' ' ' GLU . 8.0 ptmm? -67.1 120.37 13.58 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -178.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.99 1.35 90.27 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 115.203 0.841 . . . . 0.0 115.203 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.58 HG23 ' HD1' ' B' ' 40' ' ' TYR . 2.6 m -122.53 -27.6 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 118.251 1.026 . . . . 0.0 113.255 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . 0.58 ' HD1' HG23 ' B' ' 39' ' ' VAL . 45.7 m-85 -124.42 137.91 54.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.887 0.375 . . . . 0.0 111.874 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.98 151.43 30.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.22 178.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 63.4 tp -112.11 131.81 55.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.091 0.472 . . . . 0.0 112.117 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.489 ' HD3' ' HB3' ' A' ' 642' ' ' TRP . 48.9 mmtm -114.0 129.76 56.58 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 178.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 60.7 t -116.92 122.78 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -178.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.0 mp -123.56 132.94 70.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.704 179.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -92.78 112.62 24.64 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.761 0.315 . . . . 0.0 110.957 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.489 HG22 ' HB2' ' B' ' 54' ' ' ALA . 66.6 t -65.82 -42.3 91.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.145 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.464 HD23 ' HB1' ' B' ' 15' ' ' ALA . 0.2 OUTLIER -62.12 -40.71 96.84 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -178.73 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -70.2 -38.59 75.35 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.806 0.298 . . . . 0.0 111.806 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.522 ' OD1' ' HG2' ' B' ' 52' ' ' GLN . 10.8 t-20 -138.23 85.83 18.01 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 179.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -62.54 -24.64 75.34 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 123.21 2.606 . . . . 0.0 114.162 -178.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.522 ' HG2' ' OD1' ' B' ' 50' ' ' ASN . 26.2 pt20 -67.4 -28.06 67.61 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.104 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 93.5 mt -66.59 -41.45 88.46 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.873 0.368 . . . . 0.0 110.316 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . 0.489 ' HB2' HG22 ' B' ' 47' ' ' VAL . . . -65.09 -40.06 94.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.462 178.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.31 -36.67 84.47 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.238 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' B' ' 52' ' ' GLN . 96.9 mt-10 -63.97 -38.4 90.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.382 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -98.87 14.96 27.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.524 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 64.2 mttp 56.65 45.28 22.35 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 46.2 mm -104.86 117.9 51.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.7 mp -120.16 9.29 11.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.637 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -148.84 155.7 41.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.804 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 67.5 p -141.51 149.08 52.97 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.8 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -80.3 145.81 72.26 Favored 'Cis proline' 0 C--N 1.349 0.576 0 C-N-CA 123.625 -1.406 . . . . 0.0 112.596 -1.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 97.3 m -128.22 130.73 48.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.874 0.369 . . . . 0.0 111.256 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.61 HD11 ' HB3' ' B' ' 10' ' ' LEU . 61.9 tp -100.0 122.65 43.22 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.779 179.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . 0.743 ' HB3' ' HB2' ' B' ' 11' ' ' LYS . . . -111.56 133.73 53.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.212 0.529 . . . . 0.0 112.255 -178.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.516 ' O ' ' HA ' ' B' ' 73' ' ' VAL . 85.1 tttt -100.23 108.06 20.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.718 178.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.445 HG22 ' HG ' ' B' ' 69' ' ' LEU . 5.9 p -102.05 -49.05 10.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.289 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.445 ' HG ' HG22 ' B' ' 68' ' ' VAL . 86.1 mt -134.37 131.8 20.69 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.301 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -77.75 163.84 87.18 Favored 'Cis proline' 0 CA--C 1.533 0.434 0 C-N-CA 123.922 -1.283 . . . . 0.0 112.425 -0.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -72.31 166.2 30.44 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.783 2.322 . . . . 0.0 112.198 178.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.12 160.78 95.17 Favored 'Cis proline' 0 C--N 1.354 0.848 0 C-N-CA 124.431 -1.07 . . . . 0.0 114.411 1.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.516 ' HA ' ' O ' ' B' ' 67' ' ' LYS . 66.7 t -85.43 116.96 29.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.38 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -137.13 162.09 34.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.188 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 35.2 ptt-85 -128.69 146.54 50.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.96 0.409 . . . . 0.0 110.729 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 80.4 mt -117.09 121.09 66.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.438 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 82.9 mt -117.97 124.73 73.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.873 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 172.53 -165.55 38.07 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.182 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -85.21 98.36 10.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.771 0.32 . . . . 0.0 110.486 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 91.2 mt -88.84 -8.8 53.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 70.2 m -66.15 -31.84 72.93 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.324 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -82.2 110.55 17.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.095 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . 0.683 ' HA ' HG12 ' B' ' 86' ' ' VAL . 61.3 ttp180 -60.06 -36.77 78.05 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.965 -178.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.42 -43.28 88.59 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.31 -42.39 15.84 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -179.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.683 HG12 ' HA ' ' B' ' 83' ' ' ARG . 7.4 p -63.2 -32.19 55.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -178.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 66.0 tp -62.12 -46.12 90.43 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 120.897 0.379 . . . . 0.0 110.134 178.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.02 -47.19 93.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.592 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.57 -42.86 99.81 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -178.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.466 HD13 HG22 ' B' ' 86' ' ' VAL . 4.6 mp -73.12 -38.29 66.36 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -60.26 -34.78 74.2 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.739 0.304 . . . . 0.0 111.18 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . 0.642 ' O ' ' HG2' ' B' ' 95' ' ' GLU . 89.5 mt -60.29 -36.92 78.97 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.99 0.424 . . . . 0.0 110.424 179.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 88.4 mt -63.57 -36.94 85.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.201 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.557 ' HB2' ' CE2' ' B' ' 36' ' ' PHE . . . -61.38 -41.2 96.72 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -179.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . 0.642 ' HG2' ' O ' ' B' ' 92' ' ' LEU . 24.0 pt-20 -67.67 -22.91 65.28 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.447 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -66.2 -40.34 90.3 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.239 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.52 HG22 ' O ' ' B' ' 94' ' ' ALA . 13.8 tt -75.56 -27.01 18.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 120.992 0.425 . . . . 0.0 110.855 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -62.12 -37.81 95.1 Favored Glycine 0 C--N 1.337 0.584 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.932 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -88.73 95.88 10.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.338 . . . . 0.0 110.619 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -144.57 160.7 40.72 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.778 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -72.12 129.94 39.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.789 0.328 . . . . 0.0 110.796 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -152.04 159.32 43.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.313 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -157.08 158.77 37.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.169 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -156.19 154.12 30.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.347 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -91.57 97.33 10.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.716 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 48.6 mttp . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.016 -0.993 . . . . 0.0 110.614 179.741 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.957 0.408 . . . . 0.0 110.729 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . -170.19 169.42 42.21 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.552 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -85.7 130.82 34.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.803 0.335 . . . . 0.0 111.042 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.791 HG21 HD13 ' A' ' 633' ' ' LEU . 27.8 mm -118.57 125.85 74.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.309 179.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 617' ' ' VAL . . . . . 0.654 HG23 ' HB3' ' A' ' 656' ' ' PRO . 91.4 t -123.99 126.26 72.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 178.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.616 HD13 HG21 ' A' ' 629' ' ' ILE . 1.2 tt -123.83 127.83 48.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.043 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 619' ' ' VAL . . . . . 0.472 ' HB ' ' CD2' ' A' ' 661' ' ' LEU . 58.7 t -110.7 112.79 42.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.049 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 42.3 t -164.49 151.39 11.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.028 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 48.2 mp0 -93.76 2.92 56.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.778 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -82.01 107.01 14.38 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.228 0.537 . . . . 0.0 111.146 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 51.1 mp0 -63.74 -36.96 85.59 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.196 -0.911 . . . . 0.0 112.785 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.41 95.2 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . 0.613 ' O ' ' HB ' ' A' ' 629' ' ' ILE . 21.8 p -75.12 -20.47 59.41 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 179.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 626' ' ' SER . . . . . 0.61 ' HA ' ' CZ3' ' A' ' 642' ' ' TRP . 67.2 m -61.49 -48.83 79.27 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 86.1 m -73.11 -46.84 48.94 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 64.5 tp -65.97 -47.72 73.65 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 629' ' ' ILE . . . . . 0.616 HG21 HD13 ' A' ' 618' ' ' LEU . 1.1 mp -69.41 -41.62 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -177.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 90.9 m -62.93 -41.9 99.63 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.76 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 70.4 m -63.57 -41.44 98.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.768 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 632' ' ' ILE . . . . . 0.558 HD13 ' HA ' ' A' ' 710' ' ' PRO . 91.3 mt -61.81 -50.26 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-O 120.871 0.367 . . . . 0.0 111.81 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 633' ' ' LEU . . . . . 0.791 HD13 HG21 ' A' ' 616' ' ' ILE . 75.5 mt -74.02 -39.73 63.39 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . 0.722 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 92.5 m -64.96 -42.17 94.83 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -177.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 635' ' ' THR . . . . . . . . . . . . . 34.0 p -65.96 -20.51 66.23 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -85.74 3.26 42.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.684 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 100.96 -9.42 58.16 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.925 -0.655 . . . . 0.0 113.071 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 638' ' ' TYR . . . . . 0.722 ' O ' ' HA ' ' A' ' 634' ' ' THR . 87.2 m-85 -83.91 153.58 23.88 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 179.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 639' ' ' GLN . . . . . 0.45 ' HG3' ' HA ' ' B' ' 33' ' ' GLU . 24.2 mm100 -112.27 115.7 29.21 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 640' ' ' VAL . . . . . 0.466 ' HA ' ' O ' ' A' ' 616' ' ' ILE . 48.8 t -101.02 129.43 52.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.331 0.586 . . . . 0.0 112.183 -178.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 641' ' ' ILE . . . . . 0.636 HG21 HD13 ' A' ' 654' ' ' LEU . 79.4 mt -117.19 120.39 64.84 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 177.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 642' ' ' TRP . . . . . 0.61 ' CZ3' ' HA ' ' A' ' 626' ' ' SER . 5.5 t-105 -93.46 115.92 28.45 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.986 0.422 . . . . 0.0 110.494 -179.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . 0.706 HD13 ' HB3' ' A' ' 650' ' ' ARG . 84.7 mt -114.04 141.99 46.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.194 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 24.9 m -76.52 166.27 2.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -75.98 164.54 26.06 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.223 0.535 . . . . 0.0 112.109 -177.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 81.94 0.75 89.85 Favored Glycine 0 C--N 1.334 0.425 0 CA-C-N 115.39 -0.823 . . . . 0.0 113.793 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 647' ' ' GLU . . . . . 0.437 ' HB3' ' HD3' ' A' ' 650' ' ' ARG . 77.6 mm-40 -114.1 86.58 2.44 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -179.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . 0.445 HG21 ' OE1' ' A' ' 676' ' ' GLN . 78.6 t -71.12 -38.07 69.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.885 0.374 . . . . 0.0 110.198 177.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 46.4 mp0 -58.83 -38.64 79.15 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.815 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . 0.706 ' HB3' HD13 ' A' ' 643' ' ' LEU . 10.9 mpt_? -62.84 -38.72 91.91 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 178.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.67 -45.4 86.86 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.476 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 97.3 mt -67.89 -40.62 83.46 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.195 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . 0.65 ' HB2' HG13 ' B' ' 22' ' ' VAL . . . -61.5 -39.61 91.61 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.646 179.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . 0.636 HD13 HG21 ' A' ' 641' ' ' ILE . 75.2 mt -108.89 29.95 6.99 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.995 -178.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 655' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -31.09 103.14 0.2 Allowed Pre-proline 0 N--CA 1.477 0.909 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -178.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 656' ' ' PRO . . . . . 0.654 ' HB3' HG23 ' A' ' 617' ' ' VAL . 42.8 Cg_endo -87.35 177.63 3.74 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 123.763 2.975 . . . . 0.0 112.803 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 47.0 pt -81.69 -20.95 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . 0.468 ' HB2' HD21 ' A' ' 721' ' ' LEU . . . -153.99 145.51 23.18 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.615 179.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.724 HG23 HD11 ' A' ' 686' ' ' LEU . 79.4 t -113.86 124.04 70.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . . . . . . . . . 2.4 mp -116.72 132.77 56.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.144 0.497 . . . . 0.0 112.003 -179.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . 0.472 ' CD2' ' HB ' ' A' ' 619' ' ' VAL . 80.2 mt -116.33 130.6 56.86 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 178.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -117.84 138.23 52.24 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.975 0.732 . . . . 0.0 112.975 -178.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . 0.428 ' HB3' ' HA ' ' A' ' 664' ' ' PRO . 77.8 mm-40 -82.78 159.58 63.09 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.188 178.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 664' ' ' PRO . . . . . 0.428 ' HA ' ' HB3' ' A' ' 663' ' ' GLU . 8.9 Cg_exo -75.23 142.39 74.37 Favored 'Cis proline' 0 C--N 1.352 0.746 0 C-N-CA 124.615 -0.994 . . . . 0.0 113.353 -0.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -116.0 78.79 1.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 79.3 p -99.38 -4.82 30.74 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -102.28 -0.83 32.28 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -163.26 165.54 36.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.334 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -96.0 115.32 27.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.605 0.241 . . . . 0.0 110.746 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.04 -43.34 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.551 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -61.38 -38.04 85.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.14 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -60.36 -44.92 95.12 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 85.6 mt -64.04 -41.92 97.23 Favored 'General case' 0 N--CA 1.461 0.075 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . 0.404 HG22 HG21 ' A' ' 688' ' ' ILE . 73.2 t -63.01 -46.22 96.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.832 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 675' ' ' ASP . . . . . 0.552 ' O ' ' HG2' ' A' ' 678' ' ' ARG . 37.2 t70 -60.94 -45.23 95.51 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.052 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . 0.451 ' HB3' ' NH1' ' A' ' 680' ' ' ARG . 66.1 mt-30 -67.65 -41.04 84.47 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.77 -39.83 95.22 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 678' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' A' ' 675' ' ' ASP . 9.1 ptm180 -66.69 -17.81 65.05 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -89.26 -10.16 47.96 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.954 0.407 . . . . 0.0 110.48 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 680' ' ' ARG . . . . . 0.451 ' NH1' ' HB3' ' A' ' 676' ' ' GLN . 4.8 mpt_? -108.31 -43.44 4.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.256 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 75.5 m -126.32 143.14 51.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.741 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 79.6 p -75.76 150.25 83.86 Favored Pre-proline 0 C--O 1.234 0.277 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.908 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -63.94 -24.81 67.24 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.728 2.285 . . . . 0.0 113.435 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -72.11 -25.87 61.91 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.574 0.226 . . . . 0.0 111.209 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -99.76 -35.3 9.84 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.364 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 686' ' ' LEU . . . . . 0.724 HD11 HG23 ' A' ' 659' ' ' VAL . 67.4 tp -128.01 127.39 43.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.963 0.411 . . . . 0.0 110.622 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -108.67 148.63 30.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.345 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 688' ' ' ILE . . . . . 0.404 HG21 HG22 ' A' ' 674' ' ' VAL . 82.1 mt -116.05 127.21 73.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.296 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -120.44 144.26 48.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.577 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 92.7 mt -119.83 128.41 75.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.009 0.433 . . . . 0.0 111.004 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 691' ' ' LEU . . . . . 0.601 HD11 ' HE1' ' A' ' 713' ' ' PHE . 7.1 mp -96.94 128.22 43.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.169 179.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 96.15 169.75 34.87 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.124 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 94.4 p -72.73 155.02 40.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 111.457 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -166.76 -69.19 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.432 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . 160.36 -172.9 36.88 Favored Glycine 0 N--CA 1.45 -0.388 0 N-CA-C 111.431 -0.667 . . . . 0.0 111.431 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -94.46 105.09 17.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 117.021 0.41 . . . . 0.0 110.168 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -125.73 147.5 49.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 0.0 110.953 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -77.01 158.47 30.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.195 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 86.19 3.28 85.04 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.939 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 60.3 t -112.33 121.66 65.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -69.13 -43.68 73.9 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 61.1 ttm-85 -160.5 152.18 19.76 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.877 0.37 . . . . 0.0 111.908 -178.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -110.51 137.59 48.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.369 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 4.7 mp -106.03 111.77 64.36 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.722 0.296 . . . . 0.0 110.356 178.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -73.82 156.58 48.34 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.922 2.415 . . . . 0.0 113.596 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . 0.521 ' HA ' ' C ' ' A' ' 707' ' ' PRO . 7.5 mp -114.51 160.25 33.76 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.851 179.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 707' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 706' ' ' LEU . 51.1 Cg_exo -58.89 143.79 28.92 Favored 'Cis proline' 0 C--N 1.356 0.928 0 C-N-CA 124.753 -0.936 . . . . 0.0 113.577 0.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 708' ' ' ILE . . . . . 0.586 HD13 HD11 ' A' ' 629' ' ' ILE . 15.9 tt -85.86 132.61 31.6 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.323 -179.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -114.97 146.08 35.41 Favored Pre-proline 0 C--N 1.327 -0.408 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 178.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 710' ' ' PRO . . . . . 0.558 ' HA ' HD13 ' A' ' 632' ' ' ILE . 8.4 Cg_endo -54.23 -58.04 1.52 Allowed 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.947 2.431 . . . . 0.0 114.133 -178.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -63.28 -40.72 98.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.96 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 69.1 m -63.19 -48.8 76.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.739 -178.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 713' ' ' PHE . . . . . 0.601 ' HE1' HD11 ' A' ' 691' ' ' LEU . 69.7 t80 -61.28 -50.68 72.03 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . 0.479 HD12 HD23 ' A' ' 633' ' ' LEU . 1.3 tt -64.12 -46.59 83.46 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -178.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -66.92 -40.47 87.64 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -178.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -64.48 -43.79 93.04 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 120.778 0.323 . . . . 0.0 110.747 -179.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 717' ' ' VAL . . . . . 0.429 ' O ' ' HG ' ' A' ' 721' ' ' LEU . 65.3 t -66.27 -43.31 91.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.065 179.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 92.4 m -60.83 -46.42 90.61 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.114 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 65.2 ttp -63.04 -40.45 97.74 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.863 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -66.05 -21.03 69.47 Favored Glycine 0 CA--C 1.523 0.557 0 C-N-CA 120.968 -0.634 . . . . 0.0 113.067 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 721' ' ' LEU . . . . . 0.468 HD21 ' HB2' ' A' ' 658' ' ' ALA . 94.5 mt -82.55 -5.89 59.02 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 77.3 p -71.32 -17.37 62.45 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.739 0.304 . . . . 0.0 111.621 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 60.3 m -91.55 0.9 57.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.388 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 724' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.59 129.24 35.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.869 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -71.7 139.23 49.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.886 0.374 . . . . 0.0 111.145 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 68.6 p -128.45 160.12 33.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.934 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 61.0 m -128.7 148.35 50.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.599 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . 62.22 -95.81 0.05 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.782 0.676 . . . . 0.0 111.725 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.772 -179.744 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 120.968 0.413 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.84 121.41 77.58 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.161 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -71.12 148.35 56.13 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.617 2.211 . . . . 0.0 112.704 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 mp 60.73 39.37 17.48 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.256 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -130.41 24.1 5.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.679 0.276 . . . . 0.0 110.63 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -124.59 109.64 13.44 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.536 HG21 ' HB ' ' A' ' 634' ' ' THR . 77.9 p -131.12 159.81 36.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.277 -0.419 . . . . 0.0 109.885 178.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.83 153.96 17.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.361 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 62.5 t -120.35 123.79 71.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.863 0.363 . . . . 0.0 111.098 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 67.7 tp -105.75 124.64 49.9 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.473 ' HE3' ' HB3' ' B' ' 66' ' ' ALA . 61.6 pttt -107.95 145.6 33.61 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.58 0.705 . . . . 0.0 112.221 -179.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.616 ' CD2' ' HG ' ' B' ' 65' ' ' LEU . 72.9 mt -123.76 124.62 43.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.112 -178.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -99.38 120.78 40.15 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.83 166.59 27.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.347 -179.153 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.71 134.71 39.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.027 0.442 . . . . 0.0 111.979 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . 0.456 ' N ' HD12 ' B' ' 48' ' ' LEU . . . 80.04 178.11 51.36 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.547 -0.751 . . . . 0.0 113.857 177.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 31.3 p-10 -118.08 22.49 12.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.877 0.37 . . . . 0.0 110.835 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 60.9 p -69.7 156.74 91.16 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.503 -179.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -54.87 -36.66 92.07 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 123.181 2.587 . . . . 0.0 113.41 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -61.33 -40.74 95.36 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.848 0.356 . . . . 0.0 110.742 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 66.6 m -69.07 -39.6 79.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.06 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.65 HG13 ' HB2' ' A' ' 653' ' ' ALA . 61.2 t -64.53 -46.72 91.82 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.508 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -63.6 -37.27 86.68 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.75 -39.75 85.83 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.9 0.381 . . . . 0.0 111.445 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.56 HD12 HD11 ' A' ' 654' ' ' LEU . 0.3 OUTLIER -69.49 -34.67 74.66 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.006 0.431 . . . . 0.0 111.286 179.316 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.555 ' HG3' ' O ' ' B' ' 22' ' ' VAL . 29.6 mtpt -67.03 -38.74 86.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.936 -178.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 74.5 p -68.12 -39.69 82.69 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.424 HD22 HD11 ' B' ' 12' ' ' LEU . 0.3 OUTLIER -68.62 -41.92 78.82 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 121.205 -0.198 . . . . 0.0 110.688 179.311 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.67 -40.9 98.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.811 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -62.04 -44.73 96.07 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.94 0.4 . . . . 0.0 111.345 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.9 mt -69.19 -41.25 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.699 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.681 HD12 ' HB2' ' B' ' 36' ' ' PHE . 62.5 tp -64.34 -42.59 96.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.84 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.506 ' O ' ' HB3' ' B' ' 37' ' ' LYS . 14.3 tm-20 -62.3 -39.18 92.16 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -178.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -97.05 -57.21 2.33 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -178.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -69.7 -38.84 77.13 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -177.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . 0.681 ' HB2' HD12 ' B' ' 32' ' ' LEU . 88.9 m-85 -117.67 34.66 5.04 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -176.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.506 ' HB3' ' O ' ' B' ' 33' ' ' GLU . 7.3 ptmm? -68.4 127.63 33.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.938 0.399 . . . . 0.0 111.314 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.19 6.69 88.58 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 121.09 -0.576 . . . . 0.0 113.187 179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 59.1 t -98.45 -52.02 9.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.774 0.287 . . . . 0.0 111.753 -179.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -152.18 165.59 34.35 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 121.34 0.591 . . . . 0.0 112.528 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.56 154.0 20.47 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 114.99 -1.004 . . . . 0.0 111.0 -179.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 47.3 tp -110.69 138.17 47.43 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.861 0.362 . . . . 0.0 111.91 -178.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' B' ' 11' ' ' LYS . 40.9 ttmt -127.78 134.18 49.48 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.263 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.535 HG21 HD11 ' B' ' 25' ' ' LEU . 58.7 t -120.67 127.44 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-O 121.014 0.435 . . . . 0.0 112.054 -178.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 81.9 mt -122.84 132.41 71.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.511 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -94.43 114.25 26.24 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 34.4 m -65.55 -32.04 56.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 113.356 0.872 . . . . 0.0 113.356 -178.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.456 HD12 ' N ' ' B' ' 16' ' ' GLY . 85.3 mt -67.83 -37.5 81.99 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 122.257 -0.277 . . . . 0.0 111.699 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 29.7 tptp -68.62 -39.61 80.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.057 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.591 ' OD1' ' HG2' ' B' ' 52' ' ' GLN . 22.5 t-20 -134.73 82.07 45.41 Favored Pre-proline 0 C--N 1.33 -0.252 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -55.96 -32.96 87.68 Favored 'Trans proline' 0 N--CA 1.48 0.734 0 C-N-CA 123.975 3.117 . . . . 0.0 114.992 -177.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.591 ' HG2' ' OD1' ' B' ' 50' ' ' ASN . 25.3 pt20 -63.13 -26.91 69.04 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -178.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.78 -41.84 87.04 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.916 0.388 . . . . 0.0 110.721 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.74 -38.63 87.03 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.815 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.87 -27.22 68.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.787 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' B' ' 52' ' ' GLN . 97.1 mt-10 -66.05 -38.58 88.71 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.304 -179.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -107.25 13.03 27.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.633 0.254 . . . . 0.0 111.203 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 54.74 44.78 27.98 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.232 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 88.7 mt -98.51 112.12 29.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.934 0.397 . . . . 0.0 109.968 179.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 83.3 mt -111.79 8.35 20.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.952 -178.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -139.17 150.91 46.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.672 0.272 . . . . 0.0 111.213 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 69.8 p -142.64 155.0 63.66 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.622 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -76.91 146.98 85.27 Favored 'Cis proline' 0 C--N 1.351 0.705 0 C-N-CA 123.887 -1.297 . . . . 0.0 112.773 -1.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . 0.416 HG23 HG23 ' B' ' 77' ' ' ILE . 98.7 m -134.23 137.01 44.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.843 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.616 ' HG ' ' CD2' ' B' ' 12' ' ' LEU . 5.2 mp -98.69 117.38 33.02 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 177.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . 0.473 ' HB3' ' HE3' ' B' ' 11' ' ' LYS . . . -110.0 145.02 37.7 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 -177.23 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.644 ' CB ' ' HB ' ' B' ' 73' ' ' VAL . 21.9 ptmt -73.22 148.14 44.0 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.375 -0.83 . . . . 0.0 112.303 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.584 HG22 ' HG ' ' B' ' 69' ' ' LEU . 0.1 OUTLIER -148.08 -67.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 114.981 -1.009 . . . . 0.0 108.563 177.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.584 ' HG ' HG22 ' B' ' 68' ' ' VAL . 3.5 pp -161.84 150.28 12.6 Favored Pre-proline 0 CA--C 1.532 0.257 0 N-CA-C 111.549 0.203 . . . . 0.0 111.549 177.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . 0.514 ' HA ' ' HD3' ' B' ' 71' ' ' PRO . 71.8 Cg_endo -77.96 127.89 15.68 Favored 'Cis proline' 0 C--N 1.354 0.834 0 C-N-CA 123.214 -1.578 . . . . 0.0 112.243 -0.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . 0.514 ' HD3' ' HA ' ' B' ' 70' ' ' PRO . 26.4 Cg_exo -64.89 144.92 84.67 Favored 'Trans proline' 0 CA--C 1.534 0.52 0 C-N-CA 122.702 2.268 . . . . 0.0 112.254 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . 0.43 ' HA ' ' HA ' ' B' ' 71' ' ' PRO . 67.2 Cg_endo -92.63 130.56 6.25 Favored 'Cis proline' 0 CA--C 1.537 0.627 0 C-N-CA 123.886 -1.297 . . . . 0.0 113.374 -1.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.644 ' HB ' ' CB ' ' B' ' 67' ' ' LYS . 61.9 t -97.2 142.64 13.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -87.59 123.35 32.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.023 -0.423 . . . . 0.0 110.73 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -71.45 142.71 50.22 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.132 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . 0.866 HD13 ' HB1' ' B' ' 89' ' ' ALA . 79.5 mt -122.91 128.6 75.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.788 0.327 . . . . 0.0 111.355 -179.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . 0.416 HG23 HG23 ' B' ' 64' ' ' THR . 0.6 OUTLIER -128.23 133.83 66.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.283 179.14 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.02 -165.01 34.58 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.278 -0.963 . . . . 0.0 112.778 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -85.93 108.46 18.19 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 94.2 mt -89.26 -1.53 58.11 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 87.4 p -70.47 -20.03 62.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.036 0.446 . . . . 0.0 110.571 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -92.97 113.29 25.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.065 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -59.85 -37.06 78.19 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.82 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -58.31 -45.61 87.69 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.648 0.261 . . . . 0.0 111.324 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.18 -37.94 72.16 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.409 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 75.3 t -61.87 -43.82 97.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.473 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.501 ' O ' ' HG2' ' B' ' 91' ' ' ARG . 64.2 tp -60.71 -45.43 94.24 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.591 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 91.6 mt -61.1 -46.94 95.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.931 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . 0.866 ' HB1' HD13 ' B' ' 76' ' ' ILE . . . -63.27 -41.45 99.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.016 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 6.9 mp -68.66 -34.56 75.92 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.922 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' B' ' 87' ' ' LEU . 28.3 mmm180 -62.54 -37.25 85.38 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.733 0.301 . . . . 0.0 110.482 179.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.15 -39.03 91.25 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.123 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 94.5 mt -63.51 -38.04 89.61 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.504 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.486 ' O ' HG22 ' B' ' 97' ' ' ILE . . . -60.94 -39.45 89.52 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.368 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . 0.403 ' HG2' ' CD2' ' B' ' 100' ' ' TYR . 88.6 tt0 -62.5 -42.31 99.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.616 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -64.47 -43.4 94.32 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.65 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.486 HG22 ' O ' ' B' ' 94' ' ' ALA . 15.7 tt -68.79 -22.15 26.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-O 120.868 0.366 . . . . 0.0 111.134 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -73.56 -8.99 77.65 Favored Glycine 0 CA--C 1.52 0.393 0 CA-C-N 116.075 -0.511 . . . . 0.0 113.003 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 31.1 t0 60.39 53.7 4.17 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.027 0.441 . . . . 0.0 111.179 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' TYR . . . . . 0.403 ' CD2' ' HG2' ' B' ' 95' ' ' GLU . 37.1 p90 -72.36 157.86 36.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.09 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.81 154.88 38.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.784 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -156.02 161.19 40.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.217 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -90.63 106.96 18.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.692 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -63.42 -41.69 98.71 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 28.8 t0 55.36 44.56 27.05 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.053 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 50.3 mmtm . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.598 179.535 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 46.3 mp0 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.976 0.417 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . 95.95 161.11 33.03 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.809 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -95.62 151.03 19.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.961 0.41 . . . . 0.0 111.321 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.56 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 96.9 mt -128.25 133.24 67.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.891 -179.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 617' ' ' VAL . . . . . . . . . . . . . 98.4 t -108.14 124.97 64.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 121.089 0.471 . . . . 0.0 110.151 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.497 HD21 ' HA ' ' A' ' 626' ' ' SER . 57.2 tp -108.84 123.57 49.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.808 -179.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 57.8 t -114.79 114.28 46.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.091 0.472 . . . . 0.0 109.883 179.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 46.9 t -160.22 146.95 15.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.782 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 621' ' ' GLU . . . . . 0.518 ' HG3' ' CD1' ' A' ' 667' ' ' TYR . 78.0 mm-40 -90.18 -7.96 52.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.799 0.333 . . . . 0.0 110.764 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -95.4 108.3 20.49 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.926 0.393 . . . . 0.0 110.115 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -62.59 -39.72 94.63 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -178.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -60.24 -46.61 89.19 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -178.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 92.4 m -67.34 -41.53 85.04 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.112 0.482 . . . . 0.0 110.483 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 626' ' ' SER . . . . . 0.497 ' HA ' HD21 ' A' ' 618' ' ' LEU . 70.0 m -62.43 -41.28 98.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.433 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 88.9 m -64.02 -42.74 97.02 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.048 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.45 -50.54 73.17 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.13 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 629' ' ' ILE . . . . . 0.436 ' HA ' HD12 ' A' ' 632' ' ' ILE . 72.8 mt -66.51 -34.52 70.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.457 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 42.0 t -53.95 -50.17 67.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.097 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 89.3 p -68.13 -35.26 77.82 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 120.774 0.321 . . . . 0.0 110.634 178.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 632' ' ' ILE . . . . . 0.436 HD12 ' HA ' ' A' ' 629' ' ' ILE . 74.6 mt -60.6 -47.66 91.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 112.085 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 633' ' ' LEU . . . . . 0.5 ' HB2' HG21 ' A' ' 640' ' ' VAL . 90.0 mt -87.78 -39.53 14.82 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -179.078 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . 0.641 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 92.7 m -63.45 -45.02 92.79 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -177.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 635' ' ' THR . . . . . . . . . . . . . 1.4 m -73.72 -14.92 61.22 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.949 0.404 . . . . 0.0 111.32 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -81.96 0.61 39.23 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.443 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 102.07 3.09 51.69 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.879 -0.677 . . . . 0.0 113.025 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 638' ' ' TYR . . . . . 0.641 ' O ' ' HA ' ' A' ' 634' ' ' THR . 96.8 m-85 -100.17 151.86 20.93 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -105.26 113.66 27.38 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 640' ' ' VAL . . . . . 0.56 ' HA ' ' O ' ' A' ' 616' ' ' ILE . 61.8 t -107.83 130.85 59.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -177.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 641' ' ' ILE . . . . . 0.538 HG21 HD13 ' A' ' 654' ' ' LEU . 87.3 mt -117.28 126.32 74.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 177.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 642' ' ' TRP . . . . . 0.515 ' HB3' ' HG2' ' B' ' 43' ' ' LYS . 82.3 t90 -95.1 121.83 37.13 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.751 0.31 . . . . 0.0 110.726 -179.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.24 142.27 47.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 -179.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 13.1 m -77.35 151.22 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -67.1 151.11 48.2 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -178.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 102.96 -9.37 55.0 Favored Glycine 0 C--N 1.338 0.64 0 N-CA-C 114.993 0.757 . . . . 0.0 114.993 178.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -114.39 106.44 14.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 118.261 1.031 . . . . 0.0 112.812 -179.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 90.6 t -84.11 -41.21 16.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 49.3 mp0 -59.55 -39.23 83.33 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.862 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -64.27 -37.46 87.58 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 178.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.411 ' HA ' HD22 ' A' ' 651' ' ' LEU . 0.3 OUTLIER -65.61 -42.55 91.47 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.729 178.64 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 92.9 mt -65.99 -39.33 90.23 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.665 178.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . 0.749 ' HB2' HG13 ' B' ' 22' ' ' VAL . . . -59.08 -39.9 83.55 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.009 179.063 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . 0.538 HD13 HG21 ' A' ' 641' ' ' ILE . 90.0 mt -108.57 30.02 6.86 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.074 -179.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 655' ' ' THR . . . . . . . . . . . . . 5.6 t -46.9 108.26 0.83 Allowed Pre-proline 0 N--CA 1.468 0.463 0 CA-C-O 121.8 0.809 . . . . 0.0 112.914 -178.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 656' ' ' PRO . . . . . 0.625 ' HD2' HD11 ' A' ' 686' ' ' LEU . 39.8 Cg_endo -88.65 -170.34 0.49 Allowed 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 123.991 3.127 . . . . 0.0 112.766 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 46.9 pt -81.09 -25.69 10.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.447 0.642 . . . . 0.0 109.492 177.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -158.68 154.43 26.39 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.216 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.586 HG13 HD21 ' A' ' 686' ' ' LEU . 30.1 m -121.11 149.0 24.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.941 0.4 . . . . 0.0 110.992 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.593 HD23 ' HB2' ' A' ' 689' ' ' PHE . 73.6 mt -116.02 119.33 35.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.444 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 77.9 mt -112.99 127.24 56.17 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -109.88 132.86 53.77 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -84.26 159.27 59.61 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.199 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 664' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -82.56 157.58 77.36 Favored 'Cis proline' 0 C--N 1.352 0.714 0 C-N-CA 124.328 -1.113 . . . . 0.0 113.605 -0.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -103.93 80.28 1.73 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.186 178.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 81.7 p -94.13 -7.86 41.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.848 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 667' ' ' TYR . . . . . 0.518 ' CD1' ' HG3' ' A' ' 621' ' ' GLU . 95.5 m-85 -103.86 4.13 34.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.718 0.294 . . . . 0.0 111.578 -179.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 177.53 170.09 39.41 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.902 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 669' ' ' ASP . . . . . 0.678 ' O ' ' HG2' ' A' ' 672' ' ' GLU . 47.8 t0 -93.99 110.26 21.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 117.009 0.405 . . . . 0.0 110.576 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 13.1 p -59.79 -30.9 46.11 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-O 120.908 0.385 . . . . 0.0 111.044 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -64.85 -39.02 92.89 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.555 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . 0.678 ' HG2' ' O ' ' A' ' 669' ' ' ASP . 12.2 pt-20 -71.97 -35.42 69.52 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.859 -179.324 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 59.8 tp -67.26 -45.57 76.25 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.345 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 12.5 p -65.43 -39.19 84.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -62.73 -45.44 92.7 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.007 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -64.91 -41.01 95.94 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.284 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.07 -39.87 95.02 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.766 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -62.64 -38.9 92.08 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.785 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -65.61 -36.56 84.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.634 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 14.0 mmp_? -87.2 -40.23 14.76 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.214 0.449 . . . . 0.0 112.214 -178.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 75.9 m -124.55 136.15 53.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.806 0.336 . . . . 0.0 111.489 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 61.4 p -73.06 158.46 87.04 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.656 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -54.27 -37.59 88.32 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 122.797 2.332 . . . . 0.0 113.416 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -73.63 -33.71 64.67 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.119 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -72.21 -38.21 69.06 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 120.778 0.323 . . . . 0.0 111.324 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 686' ' ' LEU . . . . . 0.625 HD11 ' HD2' ' A' ' 656' ' ' PRO . 3.8 tt -148.25 132.63 17.56 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.252 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 687' ' ' LYS . . . . . 0.531 ' HD2' HD23 ' A' ' 721' ' ' LEU . 68.8 mttm -104.33 145.21 30.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.036 0.446 . . . . 0.0 111.194 -179.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 688' ' ' ILE . . . . . . . . . . . . . 26.0 mm -107.73 123.35 63.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.653 -178.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 689' ' ' PHE . . . . . 0.593 ' HB2' HD23 ' A' ' 660' ' ' LEU . 94.4 m-85 -117.76 135.61 53.93 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 178.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 86.0 mt -119.79 130.06 74.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.043 0.449 . . . . 0.0 110.602 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 691' ' ' LEU . . . . . 0.544 HD11 ' HE1' ' A' ' 713' ' ' PHE . 6.2 mp -100.32 130.84 46.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.185 -179.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 72.89 26.81 70.23 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.88 -0.676 . . . . 0.0 113.539 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 87.2 p -72.01 156.45 39.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.747 0.308 . . . . 0.0 111.506 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -64.7 -41.72 95.82 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.884 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . -174.42 -168.44 35.23 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.779 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -63.54 128.1 34.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.808 0.337 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -125.46 133.37 52.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.365 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -61.72 134.88 57.3 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.011 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 97.28 -5.38 62.91 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.206 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 70.1 t -109.2 126.28 66.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -62.37 -46.38 88.93 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.02 -179.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -161.48 152.24 18.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.84 0.352 . . . . 0.0 110.998 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -120.24 149.59 42.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.005 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 704' ' ' ILE . . . . . 0.453 ' HB ' ' HG ' ' A' ' 691' ' ' LEU . 28.6 mm -103.86 112.96 65.77 Favored Pre-proline 0 C--N 1.328 -0.348 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.322 -179.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -72.8 153.98 53.68 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.688 2.258 . . . . 0.0 112.785 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . 0.496 ' HA ' ' C ' ' A' ' 707' ' ' PRO . 5.0 mp -110.91 158.93 34.35 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.414 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 707' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 706' ' ' LEU . 37.7 Cg_endo -64.22 150.3 71.77 Favored 'Cis proline' 0 C--N 1.354 0.838 0 C-N-CA 124.001 -1.25 . . . . 0.0 113.23 1.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 708' ' ' ILE . . . . . 0.438 HD12 HD23 ' A' ' 691' ' ' LEU . 12.8 tt -86.25 127.55 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.754 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -118.6 147.89 43.04 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -53.4 -57.5 1.93 Allowed 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.866 2.378 . . . . 0.0 113.848 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.38 -40.1 95.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 70.3 m -62.43 -47.15 85.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.289 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 713' ' ' PHE . . . . . 0.544 ' HE1' HD11 ' A' ' 691' ' ' LEU . 86.9 t80 -60.15 -49.24 78.4 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.169 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 62.5 tp -61.08 -44.23 97.69 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.683 -179.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -64.1 -44.12 93.27 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 111.542 0.201 . . . . 0.0 111.542 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -66.27 -41.91 89.23 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 717' ' ' VAL . . . . . . . . . . . . . 9.9 p -69.09 -38.39 78.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.863 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 90.9 m -64.89 -43.27 93.44 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.092 0.472 . . . . 0.0 110.456 178.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 65.8 ttp -61.41 -43.13 99.4 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.859 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -65.37 -25.01 71.08 Favored Glycine 0 CA--C 1.522 0.507 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.829 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 721' ' ' LEU . . . . . 0.531 HD23 ' HD2' ' A' ' 687' ' ' LYS . 95.5 mt -87.8 -0.95 57.62 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -179.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 70.4 p -65.14 -28.04 69.15 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 73.4 m -64.95 -41.66 95.3 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 120.85 0.357 . . . . 0.0 110.299 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 724' ' ' LEU . . . . . . . . . . . . . 65.8 tp -66.5 -46.66 75.5 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.879 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -155.91 153.74 30.12 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.346 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 69.3 p -72.1 148.75 45.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 111.416 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 5.6 t -163.57 -171.86 2.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.101 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -110.61 134.68 52.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.691 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.138 -0.934 . . . . 0.0 111.018 -179.692 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.2 mmt . . . . . 0 N--CA 1.489 1.476 0 CA-C-O 121.018 0.437 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.0 116.8 66.17 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.017 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -77.3 62.58 7.63 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.91 2.407 . . . . 0.0 112.969 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.8 mp -102.21 17.12 24.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? -128.31 32.64 4.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.7 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.01 97.03 6.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.949 0.404 . . . . 0.0 111.84 -178.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 72.5 p -130.49 159.03 38.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.522 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.89 ' HB3' ' HB3' ' B' ' 40' ' ' TYR . . . -96.47 141.72 29.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.822 0.344 . . . . 0.0 110.517 179.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 65.2 t -102.35 106.57 20.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-O 121.231 0.538 . . . . 0.0 111.448 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 58.7 tp -103.95 124.23 48.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.755 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.415 ' HG2' ' HB2' ' B' ' 43' ' ' LYS . 99.0 mttt -109.75 145.64 36.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.484 0.659 . . . . 0.0 112.339 -179.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 58.2 tp -127.01 121.02 30.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.584 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -100.55 123.67 45.07 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 178.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.473 HG12 ' HB3' ' B' ' 63' ' ' PRO . 15.4 m -137.95 169.0 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.837 ' HB1' ' HB2' ' B' ' 48' ' ' LEU . . . -140.37 134.62 31.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.851 0.358 . . . . 0.0 111.471 -179.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.12 171.08 47.52 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 121.029 -0.605 . . . . 0.0 113.902 178.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 38.9 p-10 -113.59 23.94 12.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.195 0.521 . . . . 0.0 110.118 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 52.5 p -69.03 158.3 86.88 Favored Pre-proline 0 C--O 1.235 0.307 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.503 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -53.6 -36.31 80.39 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 123.21 2.606 . . . . 0.0 113.487 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -60.63 -43.13 97.88 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.863 0.363 . . . . 0.0 110.832 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 66.6 m -69.5 -39.65 77.48 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.197 0.522 . . . . 0.0 110.077 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.749 HG13 ' HB2' ' A' ' 653' ' ' ALA . 56.0 t -63.64 -47.24 92.15 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.766 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 91.7 mtm180 -65.56 -36.99 85.4 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.38 -40.43 86.49 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.607 0.241 . . . . 0.0 110.866 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.509 HD22 HD11 ' A' ' 654' ' ' LEU . 78.3 mt -61.93 -41.54 98.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.038 178.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -63.59 -40.38 96.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.918 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 77.2 p -69.3 -41.44 76.77 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 120.804 -0.359 . . . . 0.0 111.102 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.555 HD21 HD23 ' B' ' 80' ' ' LEU . 81.2 mt -67.53 -42.38 82.84 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.443 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.54 -43.27 97.61 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -62.53 -47.21 84.92 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.814 0.34 . . . . 0.0 111.363 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.785 HD11 ' HG3' ' B' ' 83' ' ' ARG . 97.7 mt -67.28 -41.97 87.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.069 0.462 . . . . 0.0 110.978 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' B' ' 28' ' ' LEU . 3.8 tp -64.36 -49.05 73.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.718 -179.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.61 ' O ' ' HB2' ' B' ' 37' ' ' LYS . 14.7 tm-20 -70.33 -40.93 73.84 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -179.089 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -80.94 -40.14 24.99 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 -176.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -87.37 -49.11 7.45 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -177.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -132.51 69.35 1.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -178.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.61 ' HB2' ' O ' ' B' ' 33' ' ' GLU . 39.9 ttpt -80.56 133.03 35.73 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.61 -9.4 73.8 Favored Glycine 0 C--N 1.334 0.444 0 N-CA-C 115.52 0.968 . . . . 0.0 115.52 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 29.1 m -93.91 -27.71 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 118.428 1.114 . . . . 0.0 111.955 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . 0.89 ' HB3' ' HB3' ' B' ' 8' ' ' ALA . 0.1 OUTLIER -152.52 165.71 34.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.283 0.563 . . . . 0.0 112.059 179.612 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.85 157.8 35.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.976 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 66.7 tp -113.26 119.84 39.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.999 0.428 . . . . 0.0 111.749 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.515 ' HG2' ' HB3' ' A' ' 642' ' ' TRP . 60.3 mttp -100.86 133.39 45.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.527 177.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 59.1 t -116.64 125.87 73.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.879 0.371 . . . . 0.0 111.645 -178.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 84.0 mt -121.45 132.9 69.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.078 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -91.83 103.84 16.34 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.768 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 28.5 m -82.84 -14.63 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.837 ' HB2' ' HB1' ' B' ' 15' ' ' ALA . 59.0 tp -65.88 -45.02 83.59 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 120.635 0.255 . . . . 0.0 111.634 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -72.53 -26.43 61.75 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.892 0.377 . . . . 0.0 111.519 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.683 ' OD1' ' HG ' ' B' ' 53' ' ' LEU . 16.9 t-20 -132.74 85.09 48.11 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -179.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -55.49 -35.43 92.27 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.75 2.967 . . . . 0.0 114.643 -178.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.485 ' HG2' ' OD1' ' B' ' 50' ' ' ASN . 16.2 pm0 -64.42 -22.41 66.95 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -178.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.683 ' HG ' ' OD1' ' B' ' 50' ' ' ASN . 85.5 mt -63.62 -43.07 97.95 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.051 178.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.31 -39.98 85.98 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.641 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.91 -36.12 82.91 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.106 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -62.92 -39.73 95.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.665 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -96.73 10.15 39.6 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.189 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 59.0 mtmt 54.73 44.74 28.05 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.087 0.555 . . . . 0.0 112.356 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 92.7 mt -109.45 121.75 62.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 87.6 mt -112.5 5.33 17.93 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -143.61 144.94 32.13 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 73.9 p -135.71 155.14 78.34 Favored Pre-proline 0 N--CA 1.464 0.237 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.739 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . 0.473 ' HB3' HG12 ' B' ' 14' ' ' VAL . 59.8 Cg_endo -71.41 149.9 92.88 Favored 'Cis proline' 0 C--N 1.353 0.769 0 C-N-CA 123.835 -1.319 . . . . 0.0 113.179 -0.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.58 127.47 45.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.79 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 24.5 tp -99.39 121.07 40.61 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -117.62 139.24 51.26 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -178.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -105.38 121.56 44.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.348 178.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.531 HG12 ' HG ' ' B' ' 69' ' ' LEU . 47.2 t -107.72 -58.92 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.557 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.531 ' HG ' HG12 ' B' ' 68' ' ' VAL . 84.6 mt -130.92 142.81 46.91 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.871 -179.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -77.92 156.39 94.83 Favored 'Cis proline' 0 C--N 1.347 0.447 0 C-N-CA 123.544 -1.44 . . . . 0.0 111.967 -1.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.88 165.27 33.24 Favored 'Trans proline' 0 CA--C 1.532 0.396 0 C-N-CA 122.742 2.295 . . . . 0.0 112.314 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -71.33 156.58 96.65 Favored 'Cis proline' 0 C--N 1.352 0.739 0 C-N-CA 124.188 -1.172 . . . . 0.0 114.02 1.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 27.4 m -76.11 155.35 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.072 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -151.11 153.82 35.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.455 -179.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -128.86 131.21 47.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.476 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 82.5 mt -115.71 123.21 70.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.892 0.377 . . . . 0.0 110.549 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 80.7 mt -116.27 124.65 72.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.062 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 175.38 -168.86 41.51 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.134 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -88.24 99.97 12.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.771 0.319 . . . . 0.0 110.513 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.555 HD23 HD21 ' B' ' 28' ' ' LEU . 5.6 mp -83.74 -6.87 59.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.313 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 67.0 m -65.33 -32.62 74.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.052 0.453 . . . . 0.0 110.573 178.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 62.7 t-20 -83.75 117.69 23.41 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.396 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . 0.785 ' HG3' HD11 ' B' ' 31' ' ' ILE . 44.3 ttm180 -60.24 -37.07 79.23 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.535 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.69 -45.41 89.53 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.712 0.291 . . . . 0.0 111.166 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . 0.517 ' HA ' HD12 ' B' ' 88' ' ' ILE . 30.0 mtpp -68.58 -34.23 75.44 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.315 -0.402 . . . . 0.0 112.033 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 72.2 t -59.94 -43.15 91.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' B' ' 87' ' ' LEU . 0.2 OUTLIER -58.69 -39.4 80.61 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.052 0.453 . . . . 0.0 110.072 178.676 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . 0.517 HD12 ' HA ' ' B' ' 85' ' ' LYS . 92.3 mt -62.05 -48.68 87.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.715 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -86.23 -44.18 12.37 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 -177.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.427 HD21 HD12 ' B' ' 32' ' ' LEU . 25.8 tp -65.94 -39.59 90.63 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -176.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 37.7 ttt85 -62.8 -35.6 80.39 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 -179.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.82 -39.59 89.54 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.64 -38.62 91.62 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.201 178.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.78 -38.32 87.61 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.591 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -60.37 -40.06 89.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.68 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -61.78 -45.34 94.31 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.42 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 11.1 tp -75.52 -31.17 23.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-O 120.792 0.329 . . . . 0.0 111.499 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.5 -20.63 77.21 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 121.161 -0.543 . . . . 0.0 113.035 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -83.75 74.89 10.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.976 0.417 . . . . 0.0 110.789 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -127.61 127.27 43.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.445 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -116.29 126.16 53.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.338 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . 0.446 ' OD2' ' HB3' ' B' ' 104' ' ' ASP . 35.8 t70 -63.93 -40.69 97.03 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.167 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 30.9 t0 57.76 52.17 8.43 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.926 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . 0.446 ' HB3' ' OD2' ' B' ' 102' ' ' ASP . 42.0 p-10 -92.48 7.98 40.76 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.466 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -90.28 103.1 15.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.802 0.334 . . . . 0.0 110.645 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 64.8 tttm . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.497 179.899 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.926 0.393 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . -122.48 31.02 4.98 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.491 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . 0.452 ' O ' HG12 ' A' ' 657' ' ' ILE . 36.9 mtp-105 -94.96 127.95 41.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.112 0.482 . . . . 0.0 112.01 -179.223 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.544 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 88.8 mt -127.85 130.91 70.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.437 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 617' ' ' VAL . . . . . 0.615 HG23 ' HB3' ' A' ' 656' ' ' PRO . 94.8 t -108.22 125.54 64.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-O 121.327 0.584 . . . . 0.0 110.429 179.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.626 HD21 ' HA ' ' A' ' 626' ' ' SER . 63.8 tp -106.21 122.9 47.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.273 -179.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 56.4 t -114.68 106.89 21.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.952 0.406 . . . . 0.0 110.058 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 42.4 t -157.75 139.87 14.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.712 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -82.97 -13.23 56.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.746 178.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -86.0 108.57 18.29 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.42 -40.63 97.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.573 -0.74 . . . . 0.0 112.902 -178.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -62.15 -45.69 92.31 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -178.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 86.1 m -67.71 -43.34 80.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.968 0.413 . . . . 0.0 110.847 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 626' ' ' SER . . . . . 0.626 ' HA ' HD21 ' A' ' 618' ' ' LEU . 66.3 m -62.86 -41.67 99.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.073 -179.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 91.0 m -62.63 -44.45 96.25 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.973 0.415 . . . . 0.0 110.722 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.05 -47.55 82.49 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.334 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 629' ' ' ILE . . . . . 0.407 HD12 ' CZ ' ' A' ' 713' ' ' PHE . 40.3 mm -63.64 -45.0 98.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.154 -179.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 95.3 m -62.53 -41.58 98.96 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.296 -178.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . 0.425 ' HA ' ' OG1' ' B' ' 7' ' ' THR . 55.2 m -63.42 -43.84 96.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.051 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 632' ' ' ILE . . . . . 0.528 HD13 ' HA ' ' A' ' 710' ' ' PRO . 95.8 mt -62.88 -48.97 85.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 633' ' ' LEU . . . . . 0.525 ' HB2' HG21 ' A' ' 640' ' ' VAL . 90.2 mt -71.16 -39.57 71.84 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -179.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . 0.616 ' O ' ' HA2' ' B' ' 38' ' ' GLY . 90.7 m -65.13 -43.8 90.72 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -178.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 635' ' ' THR . . . . . . . . . . . . . 13.9 t -65.99 -15.29 62.88 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.742 0.306 . . . . 0.0 111.593 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -86.56 0.66 53.92 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.457 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 96.71 7.31 57.84 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.953 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 638' ' ' TYR . . . . . 0.506 ' O ' ' HA ' ' A' ' 634' ' ' THR . 82.8 m-85 -99.5 154.02 18.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.861 0.362 . . . . 0.0 110.719 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 18.4 tm0? -105.56 115.04 29.57 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 640' ' ' VAL . . . . . 0.544 ' HA ' ' O ' ' A' ' 616' ' ' ILE . 57.6 t -111.04 131.66 61.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -178.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 641' ' ' ILE . . . . . 0.608 HG21 HD13 ' A' ' 654' ' ' LEU . 85.9 mt -112.92 123.1 68.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.678 177.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 642' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -95.62 115.89 28.07 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.425 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.31 149.05 45.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.571 -178.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 17.2 m -74.73 150.15 7.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-O 120.941 0.401 . . . . 0.0 110.21 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . 0.438 ' OD1' HD11 ' A' ' 673' ' ' LEU . 20.0 t0 -74.3 158.93 33.16 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 113.399 0.888 . . . . 0.0 113.399 -177.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 103.09 -16.74 53.56 Favored Glycine 0 C--N 1.337 0.636 0 CA-C-N 115.303 -0.862 . . . . 0.0 114.802 178.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 647' ' ' GLU . . . . . 0.449 ' O ' ' HG ' ' A' ' 651' ' ' LEU . 78.2 mm-40 -115.5 91.33 3.57 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 118.152 0.976 . . . . 0.0 113.326 -178.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 76.2 t -71.32 -41.34 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.556 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 649' ' ' GLU . . . . . 0.464 ' HA ' HD12 ' A' ' 652' ' ' LEU . 49.9 mp0 -59.67 -39.33 84.11 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.811 0.338 . . . . 0.0 110.309 179.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 68.3 mtt-85 -66.94 -36.4 82.14 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 178.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 647' ' ' GLU . 88.8 mt -65.01 -37.12 86.6 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.111 177.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 649' ' ' GLU . 93.3 mt -61.02 -37.94 84.31 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.76 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -59.07 -38.52 79.65 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.664 0.745 . . . . 0.0 110.083 178.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . 0.72 HD21 ' HB3' ' B' ' 25' ' ' LEU . 87.8 mt -108.51 30.39 6.51 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.221 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 655' ' ' THR . . . . . . . . . . . . . 8.6 t -49.03 115.62 4.77 Favored Pre-proline 0 N--CA 1.467 0.417 0 CA-C-O 121.869 0.842 . . . . 0.0 112.256 -178.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 656' ' ' PRO . . . . . 0.615 ' HB3' HG23 ' A' ' 617' ' ' VAL . 25.6 Cg_endo -88.92 -172.98 0.75 Allowed 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 124.067 3.178 . . . . 0.0 113.183 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.452 HG12 ' O ' ' A' ' 615' ' ' ARG . 48.0 pt -87.22 -20.36 7.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 177.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -152.72 145.97 24.73 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.628 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.699 HG23 HD11 ' A' ' 686' ' ' LEU . 68.0 t -115.98 128.25 73.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.362 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.818 HD23 ' HB2' ' A' ' 689' ' ' PHE . 82.9 mt -106.91 122.9 47.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.731 0.3 . . . . 0.0 111.383 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 86.9 mt -118.59 133.32 55.95 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -109.45 135.35 50.62 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -90.66 154.88 46.03 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.472 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 664' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -82.43 163.86 74.3 Favored 'Cis proline' 0 C--N 1.351 0.686 0 C-N-CA 124.288 -1.13 . . . . 0.0 112.784 -0.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 665' ' ' PHE . . . . . 0.553 ' HB3' HG13 ' A' ' 670' ' ' VAL . 18.0 p90 -90.79 79.74 5.95 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.307 0.575 . . . . 0.0 111.123 179.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 71.2 m -63.73 -40.53 96.98 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.659 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -126.51 117.51 23.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.871 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . 0.464 ' O ' ' HB2' ' A' ' 665' ' ' PHE . . . 93.94 147.51 22.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.337 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -96.52 115.51 27.55 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.758 -0.26 . . . . 0.0 110.755 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 670' ' ' VAL . . . . . 0.553 HG13 ' HB3' ' A' ' 665' ' ' PHE . 35.0 m -63.79 -32.69 57.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 C-N-CA 121.196 -0.202 . . . . 0.0 111.305 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -64.34 -39.35 93.71 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.158 0.504 . . . . 0.0 109.819 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . 0.43 ' HG3' ' OE1' ' A' ' 676' ' ' GLN . 53.5 tp10 -63.91 -42.26 97.46 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.383 178.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 673' ' ' LEU . . . . . 0.438 HD11 ' OD1' ' A' ' 645' ' ' ASP . 84.1 mt -62.64 -42.11 99.41 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.463 179.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 670' ' ' VAL . 53.9 t -61.59 -45.95 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.202 179.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -60.61 -44.46 96.28 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.16 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . 0.43 ' OE1' ' HG3' ' A' ' 672' ' ' GLU . 1.5 mp0 -65.07 -46.39 81.37 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.615 179.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 89.3 mt -61.92 -40.63 96.14 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -179.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -65.83 -35.93 82.06 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.747 0.308 . . . . 0.0 111.801 179.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.59 -26.7 55.32 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.711 0.291 . . . . 0.0 111.437 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.04 -43.9 10.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.669 -179.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 76.7 m -123.32 144.65 49.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.634 0.254 . . . . 0.0 110.489 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . 0.405 ' OG1' ' HB2' ' A' ' 685' ' ' GLN . 67.2 p -71.85 152.96 93.19 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.421 -179.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -57.42 -37.99 95.69 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 123.157 2.571 . . . . 0.0 113.524 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 24.8 pm0 -74.11 -17.86 60.88 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 685' ' ' GLN . . . . . 0.405 ' HB2' ' OG1' ' A' ' 682' ' ' THR . 3.2 mp0 -96.76 -35.07 11.1 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 686' ' ' LEU . . . . . 0.699 HD11 HG23 ' A' ' 659' ' ' VAL . 69.2 tp -129.8 128.73 42.95 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.857 0.361 . . . . 0.0 111.001 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -103.62 147.17 27.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.638 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 688' ' ' ILE . . . . . 0.415 HG21 HG22 ' A' ' 674' ' ' VAL . 78.3 mt -119.5 126.25 75.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.21 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 689' ' ' PHE . . . . . 0.818 ' HB2' HD23 ' A' ' 660' ' ' LEU . 98.2 m-85 -119.39 141.19 49.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.824 0.345 . . . . 0.0 110.48 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 51.1 mm -116.18 124.97 73.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 691' ' ' LEU . . . . . 0.674 HD11 ' HE1' ' A' ' 713' ' ' PHE . 4.0 mp -100.88 128.59 46.85 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 692' ' ' GLY . . . . . 0.688 ' O ' ' HA ' ' A' ' 705' ' ' PRO . . . 129.8 -122.75 3.84 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.066 -1.064 . . . . 0.0 112.58 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 87.5 p -73.75 164.18 26.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.601 0.238 . . . . 0.0 110.756 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -62.13 -39.9 94.11 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.047 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . 79.27 -55.18 4.34 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.278 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 55.9 t30 60.24 42.47 15.12 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.401 0.62 . . . . 0.0 110.922 -179.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -118.31 147.48 43.43 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.349 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -83.44 158.19 22.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.691 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 104.31 -2.53 43.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.601 -0.809 . . . . 0.0 113.006 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 27.3 m -118.75 145.65 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 110.737 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -72.72 -44.21 62.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.489 . . . . 0.0 112.295 -179.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -164.19 156.92 17.39 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.949 -178.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -118.95 148.52 42.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.35 . . . . 0.0 110.415 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 704' ' ' ILE . . . . . 0.404 HG22 ' CG2' ' A' ' 708' ' ' ILE . 4.8 mp -119.53 98.47 50.06 Favored Pre-proline 0 CA--C 1.535 0.38 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.218 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 705' ' ' PRO . . . . . 0.688 ' HA ' ' O ' ' A' ' 692' ' ' GLY . 32.5 Cg_exo -61.35 143.31 97.82 Favored 'Trans proline' 0 N--CA 1.479 0.649 0 C-N-CA 123.42 2.747 . . . . 0.0 113.946 -179.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . 0.907 HD23 HG23 ' A' ' 708' ' ' ILE . 81.8 mt -97.15 151.57 37.78 Favored Pre-proline 0 N--CA 1.466 0.357 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.45 178.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 707' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -73.26 152.31 98.11 Favored 'Cis proline' 0 C--N 1.353 0.773 0 C-N-CA 123.873 -1.303 . . . . 0.0 112.469 -0.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 708' ' ' ILE . . . . . 0.907 HG23 HD23 ' A' ' 706' ' ' LEU . 43.4 pt -108.03 154.2 9.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.275 0.56 . . . . 0.0 111.882 -179.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -112.12 148.94 40.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 178.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 710' ' ' PRO . . . . . 0.528 ' HA ' HD13 ' A' ' 632' ' ' ILE . 82.6 Cg_exo -51.97 -50.88 12.53 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.378 2.052 . . . . 0.0 113.489 -178.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -67.91 -39.94 83.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.416 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 70.0 m -63.41 -47.45 81.9 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.579 -179.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 713' ' ' PHE . . . . . 0.674 ' HE1' HD11 ' A' ' 691' ' ' LEU . 83.3 t80 -60.13 -49.41 77.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.168 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 62.5 tp -61.1 -44.93 96.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.155 -178.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -64.79 -41.71 95.61 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -65.5 -42.87 91.63 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.762 0.315 . . . . 0.0 110.901 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 717' ' ' VAL . . . . . 0.401 ' O ' ' HG ' ' A' ' 721' ' ' LEU . 60.3 t -65.31 -43.17 95.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.618 179.026 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 718' ' ' THR . . . . . 0.447 ' O ' HG23 ' A' ' 722' ' ' THR . 92.3 m -60.12 -44.2 95.07 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 60.8 ttm -59.76 -45.69 91.45 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.228 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -63.2 -40.13 98.73 Favored Glycine 0 CA--C 1.522 0.491 0 C-N-CA 120.462 -0.875 . . . . 0.0 111.885 177.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 721' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 717' ' ' VAL . 92.0 mt -64.78 -38.32 90.59 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 722' ' ' THR . . . . . 0.539 ' HA ' ' O ' ' A' ' 725' ' ' ALA . 72.6 p -62.82 -26.11 68.58 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -179.07 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 73.8 m -65.51 -41.32 93.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.12 0.486 . . . . 0.0 109.821 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 724' ' ' LEU . . . . . . . . . . . . . 3.3 tt -70.14 -46.48 64.64 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.431 179.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 725' ' ' ALA . . . . . 0.539 ' O ' ' HA ' ' A' ' 722' ' ' THR . . . -166.25 -178.94 4.8 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.363 -179.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 63.3 p -64.13 -31.81 73.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.799 -0.182 . . . . 0.0 111.379 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 50.0 m 55.49 37.65 29.17 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.952 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -149.64 153.45 37.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.616 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 13.4 mp0 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.303 -0.856 . . . . 0.0 111.354 179.923 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 78.6 mtm . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.606 0.241 . . . . 0.0 110.693 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . 0.402 ' N ' ' HD3' ' B' ' 3' ' ' PRO . . . 51.08 61.83 12.45 Favored Pre-proline 0 N--CA 1.471 0.577 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.463 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' B' ' 2' ' ' ALA . 48.0 Cg_exo -59.13 -29.0 89.35 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.141 2.561 . . . . 0.0 113.357 -179.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 mp -83.59 15.36 3.18 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 55.5 mmm-85 -120.49 18.36 12.09 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.757 0.313 . . . . 0.0 111.28 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.24 68.7 5.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.851 0.358 . . . . 0.0 111.783 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.566 HG21 ' HB ' ' A' ' 634' ' ' THR . 71.4 p -130.93 158.16 40.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.457 179.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -108.29 145.52 34.25 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 58.2 t -108.5 113.8 44.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.251 0.548 . . . . 0.0 111.277 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 68.7 tp -105.08 120.08 40.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.653 178.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.45 ' HG3' ' HB3' ' B' ' 66' ' ' ALA . 10.3 ptpt -105.75 150.82 25.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.956 0.408 . . . . 0.0 110.661 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.604 HD22 HD22 ' B' ' 28' ' ' LEU . 0.2 OUTLIER -138.12 133.56 33.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.768 -178.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' TYR . . . . . 0.449 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 93.0 m-85 -102.4 121.4 42.24 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 178.306 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.793 HG12 ' HB3' ' B' ' 63' ' ' PRO . 28.0 m -136.19 168.88 21.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.258 0.551 . . . . 0.0 112.325 -177.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.2 100.42 7.04 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.33 -0.85 . . . . 0.0 108.924 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.5 112.42 3.45 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.456 -0.878 . . . . 0.0 113.12 -178.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -162.5 -70.49 0.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.663 0.268 . . . . 0.0 110.684 179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 65.7 p -77.8 152.35 80.16 Favored Pre-proline 0 N--CA 1.455 -0.194 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.378 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -55.26 -39.14 92.59 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.741 2.294 . . . . 0.0 113.277 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -62.75 -42.42 99.67 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.862 0.363 . . . . 0.0 110.882 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 69.5 m -70.03 -40.14 75.36 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.482 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 62.2 t -67.15 -42.4 88.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.993 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 -64.24 -23.62 67.37 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.186 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.652 ' HB1' HD23 ' B' ' 80' ' ' LEU . . . -58.31 -39.91 80.62 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 111.432 0.16 . . . . 0.0 111.432 -179.075 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.72 ' HB3' HD21 ' A' ' 654' ' ' LEU . 77.7 mt -63.81 -40.26 96.2 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.977 0.418 . . . . 0.0 110.8 178.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -63.06 -40.96 99.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.574 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 87.7 m -68.53 -43.0 77.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.8 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.643 HD13 HD11 ' B' ' 80' ' ' LEU . 56.7 tp -61.29 -46.42 90.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.586 -179.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.73 -40.48 92.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.603 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -62.01 -42.26 98.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.68 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.73 -44.49 89.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.893 -178.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.403 HD22 ' HG ' ' B' ' 42' ' ' LEU . 1.3 mp -72.36 -34.55 68.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.565 -178.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.586 ' O ' ' HB3' ' B' ' 37' ' ' LYS . 85.4 tt0 -63.86 -40.91 97.66 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -97.4 -55.13 2.93 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -177.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 54.8 tp10 -63.23 -47.08 83.97 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -176.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -131.38 61.9 1.63 Allowed 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -178.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.586 ' HB3' ' O ' ' B' ' 33' ' ' GLU . 5.1 ptmm? -76.61 136.22 39.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.0 0.429 . . . . 0.0 111.373 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.616 ' HA2' ' O ' ' A' ' 634' ' ' THR . . . 82.73 2.46 90.64 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.95 -0.643 . . . . 0.0 113.497 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 17.9 t -107.16 -45.49 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -126.24 140.86 52.2 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -178.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.07 145.45 34.01 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 176.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.403 ' HG ' HD22 ' B' ' 32' ' ' LEU . 92.9 mt -103.95 143.9 32.24 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -177.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -126.7 127.7 45.55 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 177.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 65.7 t -116.45 121.81 68.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -177.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 83.6 mt -118.64 126.79 75.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.688 178.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -92.45 111.13 22.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.464 -179.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.618 HG21 HG21 ' B' ' 62' ' ' THR . 35.9 m -84.73 -11.31 11.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.834 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.55 -46.58 69.11 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.795 0.331 . . . . 0.0 110.962 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 60.4 tptt -70.41 -39.48 74.45 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.952 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -125.26 84.5 59.56 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.825 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -57.55 -28.87 82.89 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 123.464 2.776 . . . . 0.0 113.476 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.501 ' O ' ' HG2' ' B' ' 56' ' ' GLU . 18.3 pm0 -62.85 -26.13 68.62 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.59 -40.5 95.63 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.777 0.322 . . . . 0.0 110.793 179.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . 0.794 ' HA ' HD12 ' B' ' 59' ' ' ILE . . . -64.19 -40.23 95.66 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.967 179.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -65.37 -36.08 82.91 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.252 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' B' ' 52' ' ' GLN . 78.8 mm-40 -63.36 -38.44 91.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.515 -178.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -102.01 12.66 36.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.611 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 22.1 mttt 50.82 54.11 11.8 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.372 0.42 . . . . 0.0 112.064 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.794 HD12 ' HA ' ' B' ' 54' ' ' ALA . 82.0 mt -84.25 112.36 21.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.887 0.375 . . . . 0.0 110.301 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 40.0 tp -69.86 -42.11 73.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.929 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -154.12 158.02 39.8 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.834 0.349 . . . . 0.0 111.909 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . 0.618 HG21 HG21 ' B' ' 47' ' ' VAL . 76.2 p -128.37 154.46 79.15 Favored Pre-proline 0 N--CA 1.463 0.205 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.101 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . 0.793 ' HB3' HG12 ' B' ' 14' ' ' VAL . 55.4 Cg_endo -68.66 150.55 87.33 Favored 'Cis proline' 0 C--N 1.352 0.713 0 C-N-CA 124.001 -1.25 . . . . 0.0 113.683 0.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.95 132.48 45.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.567 HD23 HD11 ' B' ' 12' ' ' LEU . 2.3 mp -99.31 128.12 45.4 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . 0.45 ' HB3' ' HG3' ' B' ' 11' ' ' LYS . . . -125.13 144.31 50.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.477 0.656 . . . . 0.0 112.438 -178.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.425 ' HE2' ' O ' ' B' ' 70' ' ' PRO . 86.8 tttt -111.3 121.05 44.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.052 -0.977 . . . . 0.0 109.259 178.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 6.2 m -121.58 -24.93 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.738 HD12 ' HA ' ' B' ' 70' ' ' PRO . 26.5 tp -155.54 129.73 4.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.014 -179.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . 0.738 ' HA ' HD12 ' B' ' 69' ' ' LEU . 91.3 Cg_endo -80.73 158.22 85.1 Favored 'Cis proline' 0 C--N 1.348 0.538 0 C-N-CA 123.767 -1.347 . . . . 0.0 112.374 -1.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . 0.542 ' HD3' HD12 ' B' ' 69' ' ' LEU . 22.6 Cg_exo -66.28 165.2 25.33 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.966 2.444 . . . . 0.0 112.115 178.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.14 160.24 96.46 Favored 'Cis proline' 0 C--N 1.354 0.845 0 C-N-CA 124.363 -1.099 . . . . 0.0 114.205 1.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 20.8 m -75.75 151.79 6.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.942 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.17 148.61 25.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.372 -179.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -129.14 131.02 47.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.755 0.312 . . . . 0.0 110.563 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 80.8 mt -115.62 126.31 73.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.603 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 79.7 mt -111.46 123.66 67.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.023 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -176.02 -177.71 45.25 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.264 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -90.09 103.95 16.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.831 0.348 . . . . 0.0 110.831 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.652 HD23 ' HB1' ' B' ' 24' ' ' ALA . 26.1 tp -65.42 -29.41 70.1 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.619 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 68.0 m -61.9 -31.82 72.15 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.61 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -81.91 112.49 19.07 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . 0.571 ' HA ' HG12 ' B' ' 86' ' ' VAL . 72.4 ttp85 -59.96 -34.45 73.28 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.611 -178.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -59.78 -48.07 83.15 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.546 0.212 . . . . 0.0 111.198 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . 0.492 ' HA ' HD12 ' B' ' 88' ' ' ILE . 30.1 mtpp -72.2 -39.62 68.45 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.571 HG12 ' HA ' ' B' ' 83' ' ' ARG . 7.4 p -60.97 -36.22 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.203 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 59.8 tp -65.01 -40.67 95.25 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 177.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . 0.492 HD12 ' HA ' ' B' ' 85' ' ' LYS . 90.4 mt -60.28 -45.84 95.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.914 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.46 -41.8 97.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.769 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 4.8 mp -69.57 -38.99 77.63 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.683 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 26.3 mmt85 -62.59 -39.25 93.13 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.593 0.235 . . . . 0.0 110.666 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 88.4 mt -63.28 -40.46 97.44 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.274 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.89 -39.85 95.13 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.631 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.24 -41.92 98.86 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.473 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.82 -42.97 97.54 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.746 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.76 -41.44 71.74 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.822 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 7.7 tp -68.36 -28.1 39.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-O 120.836 0.351 . . . . 0.0 111.286 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -88.7 -0.11 82.05 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.399 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 30.5 t0 56.83 47.69 17.48 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 122.906 0.482 . . . . 0.0 111.32 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -106.9 125.52 51.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.377 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -124.24 -163.9 1.2 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.134 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 30.8 t0 58.29 49.77 10.6 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.068 0.461 . . . . 0.0 111.105 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -152.67 158.82 42.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.169 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -157.1 158.61 36.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.289 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -63.2 -42.45 99.32 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.195 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 62.6 pttt . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.783 179.867 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.963 0.411 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . -169.13 165.93 39.3 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.296 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . 0.435 ' HG2' ' OE2' ' B' ' 33' ' ' GLU . 0.0 OUTLIER -91.79 139.16 30.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.907 179.845 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.542 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 88.2 mt -126.79 129.73 71.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.027 179.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 617' ' ' VAL . . . . . 0.473 HG23 ' HB3' ' A' ' 656' ' ' PRO . 86.1 t -114.69 127.83 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.166 0.508 . . . . 0.0 111.184 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.446 ' CD2' ' HA ' ' A' ' 626' ' ' SER . 67.4 tp -104.12 123.56 47.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.143 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 75.6 t -101.76 98.41 6.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.045 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 56.4 m -154.2 150.86 28.53 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.346 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -94.86 -16.61 22.76 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.999 0.428 . . . . 0.0 110.131 178.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -80.91 111.82 17.73 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.523 -178.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 623' ' ' GLU . . . . . 0.471 ' HA ' ' CH2' ' A' ' 642' ' ' TRP . 97.5 mt-10 -63.24 -40.91 98.79 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.468 -0.787 . . . . 0.0 113.075 -178.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.52 92.6 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -178.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 86.2 m -66.86 -43.59 83.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.922 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 626' ' ' SER . . . . . 0.446 ' HA ' ' CD2' ' A' ' 618' ' ' LEU . 69.4 m -63.06 -42.45 99.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.074 -178.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 87.4 m -65.27 -42.01 93.65 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.923 0.392 . . . . 0.0 110.402 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 1.8 tt -62.71 -46.0 90.15 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.894 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 629' ' ' ILE . . . . . . . . . . . . . 34.6 mm -63.08 -42.15 95.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.498 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 95.0 m -60.92 -42.82 98.85 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.757 -178.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 95.2 p -64.91 -37.35 87.33 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.769 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.37 -47.26 90.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-O 120.924 0.393 . . . . 0.0 112.053 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 633' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 633' ' ' LEU . 0.6 OUTLIER -83.77 -37.85 22.08 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -177.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . 0.737 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 93.4 m -63.22 -44.41 95.39 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -178.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 635' ' ' THR . . . . . 0.758 ' HB ' HD23 ' B' ' 4' ' ' LEU . 1.2 m -72.15 -14.15 61.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.893 0.378 . . . . 0.0 111.314 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -83.16 3.3 31.46 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.832 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 102.83 -7.37 52.98 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.901 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 638' ' ' TYR . . . . . 0.737 ' O ' ' HA ' ' A' ' 634' ' ' THR . 95.2 m-85 -99.54 159.87 14.71 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -116.57 123.63 47.85 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.18 -0.608 . . . . 0.0 109.951 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 640' ' ' VAL . . . . . 0.542 ' HA ' ' O ' ' A' ' 616' ' ' ILE . 59.4 t -105.04 129.09 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.077 -178.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 641' ' ' ILE . . . . . 0.848 HG21 HD13 ' A' ' 654' ' ' LEU . 81.4 mt -108.45 124.21 64.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 177.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 642' ' ' TRP . . . . . 0.471 ' CH2' ' HA ' ' A' ' 623' ' ' GLU . 7.6 t90 -97.92 113.49 25.34 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.194 -179.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 82.0 mt -113.98 144.28 43.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.017 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 644' ' ' VAL . . . . . 0.414 HG12 ' H ' ' A' ' 644' ' ' VAL . 0.9 OUTLIER -75.19 142.43 14.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.855 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -63.68 152.65 38.47 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -175.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 103.32 -9.5 53.73 Favored Glycine 0 C--N 1.339 0.718 0 CA-C-N 115.079 -0.964 . . . . 0.0 115.196 178.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -114.98 102.28 9.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 118.533 1.167 . . . . 0.0 113.205 -179.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 75.0 t -71.14 -40.88 75.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.006 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 48.6 mp0 -60.03 -38.11 81.77 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.811 0.339 . . . . 0.0 110.229 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . 0.429 ' HD2' HG11 ' B' ' 44' ' ' VAL . 18.4 tpp180 -63.2 -38.44 91.16 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -67.1 -42.25 84.89 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.067 178.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.607 HD21 ' HG3' ' A' ' 680' ' ' ARG . 88.0 mt -64.81 -39.22 93.22 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.205 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . 0.522 ' HB2' HG13 ' B' ' 22' ' ' VAL . . . -58.97 -39.74 82.65 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.385 0.612 . . . . 0.0 110.943 179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . 0.848 HD13 HG21 ' A' ' 641' ' ' ILE . 91.2 mt -109.84 30.66 6.49 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.712 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 655' ' ' THR . . . . . . . . . . . . . 5.1 t -41.97 109.57 0.71 Allowed Pre-proline 0 N--CA 1.469 0.488 0 CA-C-O 121.95 0.881 . . . . 0.0 112.16 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 656' ' ' PRO . . . . . 0.473 ' HB3' HG23 ' A' ' 617' ' ' VAL . 42.2 Cg_endo -87.01 -177.89 2.36 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 123.774 2.983 . . . . 0.0 113.283 -178.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 47.3 pt -83.83 -19.29 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.643 177.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -152.63 144.95 23.98 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.576 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.707 HG23 HD11 ' A' ' 686' ' ' LEU . 70.5 t -115.28 126.17 72.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.017 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.651 HD23 ' HB2' ' A' ' 689' ' ' PHE . 76.7 mt -108.7 121.57 45.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.541 -179.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.64 124.14 50.67 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 177.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -126.27 147.28 49.73 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -177.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . 0.488 ' OE1' ' HA ' ' A' ' 664' ' ' PRO . 12.1 mm-40 -78.04 153.78 80.07 Favored Pre-proline 0 CA--C 1.53 0.187 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.796 178.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 664' ' ' PRO . . . . . 0.488 ' HA ' ' OE1' ' A' ' 663' ' ' GLU . 67.0 Cg_endo -90.07 140.37 13.68 Favored 'Cis proline' 0 C--N 1.346 0.447 0 C-N-CA 123.769 -1.346 . . . . 0.0 112.732 -1.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -115.11 85.63 2.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.207 0.527 . . . . 0.0 110.624 178.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 95.1 p -83.79 -12.18 56.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.014 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -119.45 115.99 25.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.024 0.44 . . . . 0.0 110.788 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 92.3 148.26 22.38 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.523 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -96.26 115.25 27.14 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 670' ' ' VAL . . . . . 0.419 ' O ' HG23 ' A' ' 674' ' ' VAL . 31.5 m -62.31 -33.88 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.85 -40.48 96.68 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 55.1 tp10 -64.18 -43.32 95.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.679 178.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 57.3 tp -62.36 -45.61 92.42 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.231 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . 0.754 HG13 HD13 ' A' ' 688' ' ' ILE . 56.1 t -61.39 -45.5 98.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.767 179.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 675' ' ' ASP . . . . . 0.469 ' O ' ' HG3' ' A' ' 679' ' ' GLN . 34.3 t70 -61.02 -42.88 99.31 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.987 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -64.64 -40.67 95.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.265 179.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.89 -40.94 95.89 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 678' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 675' ' ' ASP . 16.4 ptm180 -68.51 -24.56 64.67 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.655 0.264 . . . . 0.0 111.518 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' ' 675' ' ' ASP . 77.5 mt-30 -66.17 -38.27 87.66 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.932 0.396 . . . . 0.0 110.837 178.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 680' ' ' ARG . . . . . 0.607 ' HG3' HD21 ' A' ' 652' ' ' LEU . 0.1 OUTLIER -88.97 -45.86 9.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.282 -178.809 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 681' ' ' CYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 678' ' ' ARG . 77.9 m -120.67 131.68 54.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.87 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 65.8 p -73.77 157.91 86.77 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.102 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -55.64 -35.04 92.19 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 122.992 2.462 . . . . 0.0 113.352 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 684' ' ' GLU . . . . . 0.532 ' HB2' HD21 ' A' ' 724' ' ' LEU . 23.6 pt-20 -69.88 -21.07 63.36 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 120.752 0.311 . . . . 0.0 110.936 179.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -98.26 -36.3 10.07 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.44 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 686' ' ' LEU . . . . . 0.707 HD11 HG23 ' A' ' 659' ' ' VAL . 64.4 tp -128.79 130.25 46.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.61 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -99.6 142.98 30.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 110.731 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 688' ' ' ILE . . . . . 0.754 HD13 HG13 ' A' ' 674' ' ' VAL . 81.2 mt -118.93 126.44 75.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.275 -179.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 689' ' ' PHE . . . . . 0.651 ' HB2' HD23 ' A' ' 660' ' ' LEU . 90.0 m-85 -127.61 143.33 51.18 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 86.8 mt -121.29 129.14 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.011 0.434 . . . . 0.0 110.864 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 691' ' ' LEU . . . . . 0.531 HD11 ' HE1' ' A' ' 713' ' ' PHE . 4.1 mp -94.09 128.09 40.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.411 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 78.78 20.25 71.34 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.919 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 47.2 t -66.74 140.63 57.88 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.824 0.345 . . . . 0.0 111.064 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -63.36 -39.34 94.25 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.226 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . -157.08 -166.73 17.11 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.63 -179.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -87.24 112.35 21.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.699 0.285 . . . . 0.0 110.562 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -108.13 151.28 26.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.977 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -67.48 143.98 55.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.759 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 91.37 -6.53 80.78 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.027 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 57.6 t -112.65 122.69 67.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -66.49 -43.52 85.16 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.876 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 702' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 702' ' ' ARG . 0.0 OUTLIER -159.03 150.81 20.74 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.199 -179.334 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -114.35 148.94 36.84 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 178.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 704' ' ' ILE . . . . . 0.441 ' HB ' ' HG ' ' A' ' 691' ' ' LEU . 16.0 mm -102.17 116.25 63.39 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -179.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.11 158.7 48.88 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.821 2.347 . . . . 0.0 113.082 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . 0.525 ' HA ' ' C ' ' A' ' 707' ' ' PRO . 96.5 mt -117.53 152.93 50.18 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.329 179.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 707' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 706' ' ' LEU . 36.9 Cg_endo -64.5 149.68 72.18 Favored 'Cis proline' 0 C--N 1.353 0.78 0 C-N-CA 123.747 -1.355 . . . . 0.0 113.047 0.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 708' ' ' ILE . . . . . . . . . . . . . 13.3 tt -76.75 130.63 36.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.383 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -117.34 132.65 23.43 Favored Pre-proline 0 C--N 1.328 -0.351 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 178.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -52.17 -50.11 15.11 Favored 'Trans proline' 0 N--CA 1.476 0.493 0 C-N-CA 122.82 2.346 . . . . 0.0 113.865 -178.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.59 -43.39 97.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.158 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 69.0 m -63.97 -45.58 88.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.903 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 713' ' ' PHE . . . . . 0.531 ' HE1' HD11 ' A' ' 691' ' ' LEU . 83.1 t80 -60.18 -49.17 78.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.09 179.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 2.1 tt -61.54 -43.74 98.31 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -63.82 -42.97 97.54 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -65.94 -41.07 91.76 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 121.136 -0.225 . . . . 0.0 111.277 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 717' ' ' VAL . . . . . 0.708 ' O ' ' HG ' ' A' ' 721' ' ' LEU . 57.9 t -65.02 -45.3 94.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.931 179.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 89.0 m -60.64 -46.42 90.38 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.611 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -63.77 -34.14 77.23 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.813 0.339 . . . . 0.0 110.987 179.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -74.56 -14.77 80.87 Favored Glycine 0 CA--C 1.524 0.656 0 C-N-CA 121.18 -0.533 . . . . 0.0 112.906 179.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 721' ' ' LEU . . . . . 0.708 ' HG ' ' O ' ' A' ' 717' ' ' VAL . 93.6 mt -86.88 0.44 54.96 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 39.1 p -64.3 -19.59 65.52 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 8.6 t 65.19 -145.14 0.23 Allowed 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.352 0.407 . . . . 0.0 111.393 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 724' ' ' LEU . . . . . 0.532 HD21 ' HB2' ' A' ' 684' ' ' GLU . 75.6 mt -62.89 -43.28 99.21 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -163.13 154.96 17.78 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.793 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 84.8 m -123.56 129.34 51.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.403 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 97.6 p -149.96 160.96 43.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.597 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -147.38 153.91 40.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.627 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.646 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.8 mmt . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 120.968 0.413 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.48 103.64 55.44 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.147 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -59.07 -36.65 95.9 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.169 2.58 . . . . 0.0 112.746 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.758 HD23 ' HB ' ' A' ' 635' ' ' THR . 0.9 OUTLIER -120.8 -159.76 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.72 154.93 37.59 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.86 110.12 13.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.074 0.464 . . . . 0.0 111.531 -178.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.434 HG21 ' HB ' ' A' ' 634' ' ' THR . 82.8 p -78.76 161.45 26.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.658 179.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.49 143.04 26.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.58 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 61.5 t -117.88 121.28 67.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.116 0.484 . . . . 0.0 111.576 -178.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 57.8 tp -103.99 126.57 51.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.645 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -103.06 141.39 35.9 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.299 0.571 . . . . 0.0 112.458 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.423 HD23 HD13 ' B' ' 25' ' ' LEU . 68.8 tp -128.15 119.98 26.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.328 178.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -101.06 126.17 47.72 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 178.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.472 HG12 ' HB3' ' B' ' 63' ' ' PRO . 31.2 m -135.63 170.18 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.333 -178.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.778 ' HB1' ' HB2' ' B' ' 48' ' ' LEU . . . -142.18 136.7 30.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.723 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.93 166.68 42.66 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.8 -0.715 . . . . 0.0 113.541 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -115.53 20.01 15.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.948 0.404 . . . . 0.0 110.344 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 58.1 p -70.52 156.4 91.98 Favored Pre-proline 0 C--O 1.233 0.236 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.421 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -54.58 -37.35 90.67 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 123.17 2.58 . . . . 0.0 113.679 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -61.55 -43.86 98.09 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.859 0.362 . . . . 0.0 110.814 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 66.4 m -67.17 -39.66 86.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.443 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.522 HG13 ' HB2' ' A' ' 653' ' ' ALA . 62.2 t -66.93 -45.01 88.29 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.966 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -63.16 -40.62 98.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.261 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.31 -40.72 91.55 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.93 0.395 . . . . 0.0 110.552 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.481 HD11 HD11 ' A' ' 654' ' ' LEU . 47.4 tp -61.49 -44.52 96.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.286 178.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -63.26 -39.34 94.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.836 178.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 93.0 m -63.22 -46.34 87.41 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.109 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 65.2 tp -63.27 -44.9 93.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.407 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.02 93.56 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.754 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -59.14 -44.17 92.06 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.808 0.337 . . . . 0.0 111.131 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.645 HD11 ' HG3' ' B' ' 83' ' ' ARG . 97.2 mt -67.56 -42.18 86.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.733 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.65 -39.1 91.05 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.301 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.435 ' OE2' ' HG2' ' A' ' 615' ' ' ARG . 97.2 mt-10 -63.87 -36.77 85.02 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -179.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.13 -58.77 2.42 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -177.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 52.0 mp0 -92.07 -9.43 42.72 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 -176.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.81 33.05 4.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 118.644 0.656 . . . . 0.0 112.417 -178.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -80.3 138.82 36.8 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -178.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' A' ' 634' ' ' THR . . . 82.87 -0.66 89.49 Favored Glycine 0 C--N 1.334 0.433 0 N-CA-C 114.979 0.752 . . . . 0.0 114.979 177.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.6 m -131.5 -25.25 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 118.088 0.944 . . . . 0.0 113.254 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -124.18 136.45 54.2 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -178.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.68 147.47 35.49 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 177.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 64.1 tp -109.81 136.75 48.62 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -177.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 642' ' ' TRP . 51.8 mtpt -119.96 133.89 55.41 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.534 177.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.429 HG11 ' HD2' ' A' ' 650' ' ' ARG . 57.8 t -126.45 128.67 71.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.907 0.384 . . . . 0.0 111.538 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 4.3 mp -125.55 134.74 65.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.371 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -92.79 106.0 18.04 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.416 ' HB ' ' HB2' ' B' ' 54' ' ' ALA . 29.6 m -84.11 -12.79 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.778 ' HB2' ' HB1' ' B' ' 15' ' ' ALA . 60.8 tp -63.96 -46.04 86.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.695 0.283 . . . . 0.0 111.326 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.98 -38.94 66.48 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.38 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.419 ' HB2' HD12 ' B' ' 53' ' ' LEU . 33.8 m120 -124.09 89.94 51.25 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.551 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -63.76 -22.91 69.47 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.783 2.322 . . . . 0.0 113.315 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.461 ' O ' ' HG2' ' B' ' 56' ' ' GLU . 18.5 pm0 -66.45 -27.88 68.16 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.775 -0.193 . . . . 0.0 111.242 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.419 HD12 ' HB2' ' B' ' 50' ' ' ASN . 93.8 mt -65.78 -41.24 92.26 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.95 0.405 . . . . 0.0 110.571 179.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . 0.416 ' HB2' ' HB ' ' B' ' 47' ' ' VAL . . . -65.29 -39.4 92.5 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.645 178.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.29 -34.9 77.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.144 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' B' ' 52' ' ' GLN . 79.2 mm-40 -62.79 -38.4 90.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.408 -179.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -104.26 15.28 28.65 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 121.156 -0.218 . . . . 0.0 111.562 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 56.72 47.41 18.26 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 44.8 mm -103.91 117.23 49.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 90.2 mt -111.28 1.78 17.33 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -149.44 160.34 43.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.439 0.161 . . . . 0.0 111.2 -179.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 44.3 p -142.88 149.4 49.51 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.159 179.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . 0.472 ' HB3' HG12 ' B' ' 14' ' ' VAL . 93.2 Cg_endo -77.92 147.1 82.83 Favored 'Cis proline' 0 C--N 1.349 0.585 0 C-N-CA 123.392 -1.503 . . . . 0.0 112.783 -1.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 77.9 m -128.61 132.83 48.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.858 0.361 . . . . 0.0 110.869 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 26.4 tp -99.25 123.23 43.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.698 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -114.11 134.61 54.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.313 0.577 . . . . 0.0 112.304 -178.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -102.0 119.98 39.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.886 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.644 ' HA ' HG12 ' B' ' 73' ' ' VAL . 58.6 t -114.9 -55.49 4.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.858 0.361 . . . . 0.0 110.991 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 84.5 mt -124.22 131.62 24.22 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.468 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -80.22 159.09 86.78 Favored 'Cis proline' 0 C--N 1.348 0.548 0 C-N-CA 123.704 -1.373 . . . . 0.0 112.287 -1.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -73.64 165.95 31.01 Favored 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 122.793 2.329 . . . . 0.0 112.182 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -72.5 159.02 96.97 Favored 'Cis proline' 0 C--N 1.353 0.792 0 C-N-CA 124.267 -1.139 . . . . 0.0 114.08 1.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.644 HG12 ' HA ' ' B' ' 68' ' ' VAL . 18.7 m -74.68 140.5 17.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.091 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -136.25 151.82 50.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.088 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -119.72 124.98 47.55 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.999 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 80.2 mt -115.7 118.68 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.89 0.376 . . . . 0.0 110.811 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 83.8 mt -120.28 125.7 74.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.004 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 169.73 -167.06 40.21 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.035 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -77.65 93.96 4.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.084 0.468 . . . . 0.0 110.597 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 96.2 mt -81.43 -6.65 59.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 89.2 p -73.53 -13.86 61.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.45 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -91.81 108.69 20.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.052 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . 0.645 ' HG3' HD11 ' B' ' 31' ' ' ILE . 45.0 ttm180 -60.36 -37.69 81.5 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.643 -179.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -58.34 -48.21 81.3 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -70.08 -41.88 73.51 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.01 -41.99 91.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.696 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 64.2 tp -59.93 -43.2 95.07 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 83.3 mt -61.18 -48.06 90.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.523 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.87 -45.16 93.87 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.492 HD23 HD12 ' B' ' 93' ' ' LEU . 80.1 mt -69.18 -37.75 78.31 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 47.0 tpt85 -61.17 -39.57 90.63 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.663 0.268 . . . . 0.0 110.568 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.55 -38.56 90.5 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.247 178.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.492 HD12 HD23 ' B' ' 90' ' ' LEU . 92.8 mt -62.93 -36.96 85.15 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.822 179.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.41 -40.53 91.3 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.254 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -63.88 -41.31 97.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.29 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 54.7 tp10 -62.56 -45.25 93.79 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.525 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 20.8 tt -75.07 -32.89 27.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 120.986 -0.285 . . . . 0.0 111.338 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -63.58 -37.75 95.24 Favored Glycine 0 C--N 1.334 0.44 0 C-N-CA 121.375 -0.44 . . . . 0.0 113.023 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -83.68 74.93 10.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.971 0.415 . . . . 0.0 110.948 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -128.59 127.61 42.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.109 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 10.8 ptpp? -148.06 160.62 42.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.752 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -157.76 161.48 38.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.086 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -155.12 157.03 36.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.616 -0.266 . . . . 0.0 110.37 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -157.32 160.67 38.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.249 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -155.56 159.55 39.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.333 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 58.8 mtmt . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.865 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.916 0.388 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . 102.03 155.49 25.97 Favored Glycine 0 CA--C 1.518 0.237 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.952 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 76.4 mtt85 -85.56 146.57 26.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.051 0.453 . . . . 0.0 111.746 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.486 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 97.8 mt -122.75 127.57 74.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.17 177.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 617' ' ' VAL . . . . . 0.659 HG23 ' HB3' ' A' ' 656' ' ' PRO . 93.2 t -112.76 125.61 70.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.389 0.614 . . . . 0.0 111.893 -179.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.565 HD22 ' HB2' ' A' ' 660' ' ' LEU . 0.7 OUTLIER -100.14 115.8 30.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.65 178.834 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 619' ' ' VAL . . . . . 0.499 ' HB ' HD23 ' A' ' 661' ' ' LEU . 61.3 t -111.65 109.5 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.041 0.448 . . . . 0.0 110.406 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 87.2 p -164.63 165.7 20.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.301 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -96.76 -11.0 25.59 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.95 0.405 . . . . 0.0 110.036 178.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -93.43 108.07 19.81 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.977 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -63.7 -38.03 89.58 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.917 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -59.46 -45.5 91.45 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -177.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 95.2 m -63.62 -44.99 92.32 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.027 0.441 . . . . 0.0 110.442 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 48.4 t -63.39 -44.49 94.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.812 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 86.2 m -59.9 -46.69 88.54 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.778 0.323 . . . . 0.0 110.775 -178.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 63.6 tp -63.11 -45.09 93.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.494 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 629' ' ' ILE . . . . . 0.417 HD11 ' CD2' ' A' ' 713' ' ' PHE . 3.5 tp -70.19 -31.65 48.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -178.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 79.7 m -62.52 -44.2 96.94 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.994 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 88.9 p -65.69 -37.31 86.11 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.974 -0.291 . . . . 0.0 111.248 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.35 -46.95 91.63 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 633' ' ' LEU . . . . . 0.477 ' HB2' HG21 ' A' ' 640' ' ' VAL . 96.2 mt -84.06 -37.48 22.04 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -178.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . 0.705 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 95.4 m -62.76 -46.01 90.01 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -177.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 635' ' ' THR . . . . . . . . . . . . . 1.1 m -71.73 -15.42 62.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.951 0.405 . . . . 0.0 111.45 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -81.07 0.56 35.45 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.606 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 105.76 -2.19 38.96 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.751 -0.737 . . . . 0.0 113.244 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 638' ' ' TYR . . . . . 0.705 ' O ' ' HA ' ' A' ' 634' ' ' THR . 80.6 m-85 -99.82 153.56 19.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.849 0.357 . . . . 0.0 110.724 179.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -106.78 112.55 25.57 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 640' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' A' ' 616' ' ' ILE . 61.4 t -102.41 129.63 53.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 112.675 0.621 . . . . 0.0 112.675 -178.225 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 641' ' ' ILE . . . . . 0.648 HG21 HD13 ' A' ' 654' ' ' LEU . 81.5 mt -120.71 127.76 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.115 178.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 642' ' ' TRP . . . . . 0.439 ' HB3' ' HG2' ' B' ' 43' ' ' LYS . 72.5 t90 -97.15 122.58 40.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.072 0.463 . . . . 0.0 111.471 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . 0.508 HD23 ' HB ' ' B' ' 44' ' ' VAL . 89.6 mt -119.78 139.94 51.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.344 178.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 2.0 t -75.48 143.73 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -62.72 147.93 48.17 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -177.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 103.02 -5.54 50.24 Favored Glycine 0 C--N 1.335 0.52 0 CA-C-N 115.464 -0.789 . . . . 0.0 113.954 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -114.0 94.11 4.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 117.648 0.724 . . . . 0.0 112.349 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 78.7 t -70.71 -42.02 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.223 178.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 16.8 pm0 -57.75 -31.53 66.58 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 121.184 -0.206 . . . . 0.0 111.276 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 89.0 mmt-85 -67.55 -38.94 84.9 Favored 'General case' 0 C--O 1.231 0.13 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.529 HD13 HD21 ' A' ' 677' ' ' LEU . 95.5 mt -66.56 -40.65 89.1 Favored 'General case' 0 C--O 1.228 -0.071 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.423 179.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 67.3 tp -66.33 -43.91 84.84 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.493 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . 0.465 ' HB2' HG13 ' B' ' 22' ' ' VAL . . . -60.28 -39.7 87.81 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.854 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . 0.648 HD13 HG21 ' A' ' 641' ' ' ILE . 86.7 mt -109.04 30.22 6.77 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -178.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 655' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -32.24 103.25 0.21 Allowed Pre-proline 0 N--CA 1.477 0.918 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -178.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 656' ' ' PRO . . . . . 0.659 ' HB3' HG23 ' A' ' 617' ' ' VAL . 43.1 Cg_endo -87.58 176.92 3.89 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.722 2.948 . . . . 0.0 112.8 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 45.8 pt -82.88 -23.64 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.587 0.708 . . . . 0.0 109.179 177.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -150.63 143.55 24.67 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.222 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.682 HG23 HD11 ' A' ' 686' ' ' LEU . 69.7 t -111.55 124.26 68.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.988 179.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.582 HD23 ' HB2' ' A' ' 689' ' ' PHE . 76.1 mt -106.38 119.74 40.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.467 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . 0.499 HD23 ' HB ' ' A' ' 619' ' ' VAL . 74.1 mt -108.2 124.93 51.03 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -128.63 147.52 50.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.072 0.463 . . . . 0.0 111.618 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -73.87 157.16 87.58 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.8 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 664' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -85.04 161.07 65.01 Favored 'Cis proline' 0 C--N 1.351 0.667 0 C-N-CA 124.223 -1.157 . . . . 0.0 113.596 -0.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -113.63 103.79 11.59 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 76.9 p -99.35 -21.62 15.94 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -118.97 110.83 17.59 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.45 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 86.71 162.56 37.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.906 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -96.23 145.9 25.16 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 670' ' ' VAL . . . . . . . . . . . . . 74.2 t -60.62 -45.65 97.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 120.685 0.278 . . . . 0.0 110.815 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 19.2 pm0 -65.44 -29.99 70.74 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.041 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -68.4 -46.33 70.27 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.102 0.477 . . . . 0.0 110.768 179.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 58.9 tp -65.82 -44.49 85.42 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.011 -178.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 34.8 m -66.28 -36.87 78.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.818 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.66 -43.03 94.9 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.331 178.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -65.2 -40.02 93.62 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.856 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . 0.529 HD21 HD13 ' A' ' 651' ' ' LEU . 84.5 mt -64.05 -39.3 93.77 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.6 178.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -61.93 -38.84 89.94 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.217 0.532 . . . . 0.0 110.027 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -64.65 -36.12 83.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.398 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 88.7 mmt-85 -85.64 -41.31 15.32 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.902 -178.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 71.8 m -132.08 144.66 50.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.71 0.291 . . . . 0.0 111.084 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 56.6 p -73.22 157.41 88.29 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.716 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -55.01 -37.83 93.65 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 122.948 2.432 . . . . 0.0 113.466 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -75.01 -33.17 61.78 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.372 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -72.3 -37.84 68.88 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.788 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 686' ' ' LEU . . . . . 0.682 HD11 HG23 ' A' ' 659' ' ' VAL . 67.0 tp -133.09 129.97 38.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.722 0.296 . . . . 0.0 111.209 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -96.9 139.88 32.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.398 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 688' ' ' ILE . . . . . . . . . . . . . 81.6 mt -120.21 127.47 75.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.653 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 689' ' ' PHE . . . . . 0.582 ' HB2' HD23 ' A' ' 660' ' ' LEU . 99.0 m-85 -125.13 144.72 50.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.712 0.291 . . . . 0.0 110.572 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 86.9 mt -118.4 125.69 74.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.948 0.404 . . . . 0.0 110.35 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 691' ' ' LEU . . . . . 0.606 HD11 ' HE1' ' A' ' 713' ' ' PHE . 9.6 mp -106.62 136.91 45.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.112 -179.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 692' ' ' GLY . . . . . 0.414 ' HA2' HD13 ' A' ' 706' ' ' LEU . . . 84.8 4.25 87.43 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.942 178.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 45.1 t -137.75 144.09 41.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 117.191 0.496 . . . . 0.0 110.698 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -133.26 132.49 41.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.497 . . . . 0.0 109.996 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . -177.05 -163.46 29.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.084 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -132.44 77.58 1.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.962 0.41 . . . . 0.0 110.807 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 697' ' ' TYR . . . . . 0.412 ' O ' HG12 ' A' ' 700' ' ' VAL . 78.7 t80 -125.76 133.03 52.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.98 179.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -69.37 153.72 43.14 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.975 0.417 . . . . 0.0 111.935 -179.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 105.52 -6.37 41.69 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.864 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 700' ' ' VAL . . . . . 0.499 HG11 ' CZ ' ' A' ' 703' ' ' TYR . 8.3 p -120.37 136.61 56.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.82 0.343 . . . . 0.0 110.362 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -70.31 -42.24 72.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.355 -0.384 . . . . 0.0 112.004 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 30.0 ttt85 -166.15 157.86 13.8 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.8 0.333 . . . . 0.0 111.553 -178.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 703' ' ' TYR . . . . . 0.499 ' CZ ' HG11 ' A' ' 700' ' ' VAL . 96.6 m-85 -108.17 139.05 43.42 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.662 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 4.5 mp -116.33 93.49 39.74 Favored Pre-proline 0 CA--C 1.534 0.361 0 CA-C-O 120.984 0.421 . . . . 0.0 110.266 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -63.63 149.84 89.93 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 123.529 2.819 . . . . 0.0 113.101 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . 0.46 ' HA ' ' C ' ' A' ' 707' ' ' PRO . 4.0 mp -100.4 159.49 29.56 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.215 179.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 707' ' ' PRO . . . . . 0.46 ' C ' ' HA ' ' A' ' 706' ' ' LEU . 37.8 Cg_endo -64.52 148.92 71.27 Favored 'Cis proline' 0 C--N 1.355 0.894 0 C-N-CA 124.076 -1.218 . . . . 0.0 113.345 1.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 708' ' ' ILE . . . . . 0.449 HD12 HD23 ' A' ' 691' ' ' LEU . 16.6 tt -84.62 133.84 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.858 -178.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -113.58 132.69 22.42 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -52.57 -57.29 2.16 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.153 2.569 . . . . 0.0 114.624 -177.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -66.05 -32.55 74.08 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 66.1 m -70.23 -45.89 65.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.872 0.368 . . . . 0.0 111.066 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 713' ' ' PHE . . . . . 0.606 ' HE1' HD11 ' A' ' 691' ' ' LEU . 86.1 t80 -59.65 -49.6 77.11 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.644 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 62.8 tp -61.38 -45.56 93.87 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 715' ' ' GLN . . . . . 0.499 ' O ' HG22 ' A' ' 718' ' ' THR . 56.4 mt-30 -65.89 -40.8 91.88 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.364 -179.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -65.0 -44.29 89.75 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.724 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 717' ' ' VAL . . . . . . . . . . . . . 60.1 t -65.88 -43.38 93.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.264 178.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 718' ' ' THR . . . . . 0.499 HG22 ' O ' ' A' ' 715' ' ' GLN . 0.6 OUTLIER -60.65 -38.37 84.62 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 120.743 0.306 . . . . 0.0 110.955 -179.387 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 66.9 ttp -63.47 -43.81 96.26 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.642 178.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -63.43 -38.43 96.36 Favored Glycine 0 CA--C 1.522 0.491 0 C-N-CA 121.111 -0.566 . . . . 0.0 112.741 178.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 6.9 mp -68.33 -7.99 36.01 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -179.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 71.0 p -66.15 -21.97 66.36 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 118.024 0.375 . . . . 0.0 111.646 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 64.5 m -89.25 -6.73 56.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 110.639 179.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 724' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.22 -36.65 7.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.646 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -137.99 155.72 48.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 65.5 p -68.51 -25.72 65.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.134 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 93.1 p -147.52 157.83 43.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.658 0.266 . . . . 0.0 110.858 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -152.54 157.99 41.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.407 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.861 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 95.8 mmm . . . . . 0 N--CA 1.489 1.497 0 CA-C-O 120.647 0.26 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.62 62.21 11.36 Favored Pre-proline 0 N--CA 1.47 0.551 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.403 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -58.29 -38.49 90.55 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 122.876 2.384 . . . . 0.0 113.161 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -134.53 167.35 20.95 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.154 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 88.6 mtm-85 60.97 -143.27 0.49 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.362 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt 56.62 37.52 28.88 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.01 0.524 . . . . 0.0 112.338 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.406 HG21 ' HB ' ' A' ' 634' ' ' THR . 78.6 p -84.22 159.85 20.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.488 -0.323 . . . . 0.0 111.26 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.495 ' HB3' ' HB3' ' B' ' 40' ' ' TYR . . . -95.72 154.02 17.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.261 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 93.0 t -112.9 118.33 57.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 65.7 tp -108.03 126.04 52.26 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.076 177.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -105.65 138.7 41.4 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.301 0.572 . . . . 0.0 112.054 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.538 HD21 HD13 ' B' ' 28' ' ' LEU . 0.9 OUTLIER -124.42 117.38 24.31 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.771 179.343 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -99.09 127.96 45.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.305 179.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.6 m -135.44 168.18 23.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.522 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.52 142.26 29.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.872 0.367 . . . . 0.0 111.629 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.27 174.75 50.11 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.866 -0.606 . . . . 0.0 113.604 178.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -113.25 22.36 14.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.814 0.34 . . . . 0.0 110.584 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 72.8 p -71.09 154.12 94.19 Favored Pre-proline 0 C--O 1.235 0.308 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.67 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.406 ' HA ' ' HB ' ' B' ' 22' ' ' VAL . 30.2 Cg_endo -62.67 -26.51 75.51 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.221 1.947 . . . . 0.0 112.569 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -62.21 -41.92 98.83 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.979 0.419 . . . . 0.0 109.964 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 74.6 m -70.54 -39.33 74.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.573 178.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.609 ' O ' ' HG3' ' B' ' 26' ' ' LYS . 56.4 t -63.84 -48.79 84.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.823 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -65.14 -35.68 81.87 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.423 ' HB1' ' HB2' ' B' ' 80' ' ' LEU . . . -59.17 -40.74 86.56 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.809 0.337 . . . . 0.0 111.168 -179.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.481 HD13 ' HA ' ' B' ' 25' ' ' LEU . 0.7 OUTLIER -71.31 -39.36 71.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.961 179.252 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.609 ' HG3' ' O ' ' B' ' 22' ' ' VAL . 31.6 mtpt -65.56 -41.94 92.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.028 -178.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 55.9 p -71.71 -39.66 70.01 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.662 0.268 . . . . 0.0 111.327 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.538 HD13 HD21 ' B' ' 12' ' ' LEU . 2.8 tt -66.1 -43.01 88.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.71 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.33 98.4 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.239 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -61.96 -46.12 90.69 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.896 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.461 HD11 ' HG3' ' B' ' 83' ' ' ARG . 92.3 mt -65.63 -43.72 93.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.725 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 53.1 tp -62.66 -47.31 84.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.328 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.681 ' O ' ' HB2' ' B' ' 37' ' ' LYS . 86.6 tt0 -63.71 -41.94 98.01 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -179.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 29.9 tptp -78.98 -52.0 8.84 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 -178.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.459 ' O ' ' HD1' ' B' ' 36' ' ' PHE . 53.7 tp10 -74.27 -47.98 31.52 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 -177.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . 0.459 ' HD1' ' O ' ' B' ' 35' ' ' GLU . 0.4 OUTLIER -132.37 69.46 1.48 Allowed 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -177.516 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.681 ' HB2' ' O ' ' B' ' 33' ' ' GLU . 40.2 ttpt -80.01 125.59 29.96 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.287 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.73 -9.89 75.6 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 121.089 -0.577 . . . . 0.0 114.441 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 79.4 t -70.83 -44.65 75.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 117.171 0.485 . . . . 0.0 111.982 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . 0.495 ' HB3' ' HB3' ' B' ' 8' ' ' ALA . 53.9 p90 -151.13 164.67 35.96 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -179.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.81 155.45 18.13 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.594 -178.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 67.6 tp -116.06 131.21 57.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.829 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.439 ' HG2' ' HB3' ' A' ' 642' ' ' TRP . 98.5 mttt -119.19 133.54 55.71 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.508 ' HB ' HD23 ' A' ' 643' ' ' LEU . 57.8 t -121.54 127.98 75.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 121.077 0.465 . . . . 0.0 112.133 -178.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 4.8 mp -122.9 133.1 69.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.204 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -93.41 115.51 28.05 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.23 -45.72 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -178.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 89.0 mt -64.55 -38.85 92.45 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -179.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -70.1 -40.08 75.14 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.612 0.244 . . . . 0.0 111.244 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -129.39 78.61 75.47 Favored Pre-proline 0 C--O 1.233 0.226 0 CA-C-N 116.773 -0.194 . . . . 0.0 110.645 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_exo -56.04 -34.12 91.54 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.19 2.594 . . . . 0.0 112.918 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.51 ' O ' ' HG2' ' B' ' 56' ' ' GLU . 19.9 pm0 -63.61 -31.75 73.01 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.955 -179.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 84.2 mt -70.47 -40.72 73.49 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.893 0.378 . . . . 0.0 110.415 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . 0.402 ' HB1' ' HB ' ' B' ' 59' ' ' ILE . . . -64.3 -39.42 93.88 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.419 178.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.55 -35.15 79.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.359 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' B' ' 52' ' ' GLN . 79.4 mm-40 -65.55 -38.71 90.39 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.395 -179.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -98.92 11.08 39.95 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.549 0.214 . . . . 0.0 111.372 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 55.59 47.04 21.65 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 122.859 0.463 . . . . 0.0 112.047 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.402 ' HB ' ' HB1' ' B' ' 54' ' ' ALA . 47.6 mm -87.18 117.68 31.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.341 . . . . 0.0 110.666 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 4.9 mp -115.39 -7.14 12.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.659 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -147.92 149.27 31.92 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.68 0.276 . . . . 0.0 111.258 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 67.3 p -134.32 153.06 79.15 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.607 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -72.88 150.88 96.24 Favored 'Cis proline' 0 C--N 1.349 0.574 0 C-N-CA 123.753 -1.353 . . . . 0.0 112.87 -0.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.54 126.9 44.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.538 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.69 HD22 HD12 ' B' ' 76' ' ' ILE . 6.5 tt -99.54 117.6 34.29 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.56 130.02 56.51 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -178.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.48 ' HB3' ' H ' ' B' ' 74' ' ' ARG . 83.6 tttt -98.42 119.48 37.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.315 177.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.446 HG12 ' HG ' ' B' ' 69' ' ' LEU . 46.3 t -106.91 -57.03 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.745 0.307 . . . . 0.0 111.397 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.446 ' HG ' HG12 ' B' ' 68' ' ' VAL . 83.5 mt -128.82 136.79 29.7 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.737 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -80.59 157.58 85.7 Favored 'Cis proline' 0 C--N 1.347 0.469 0 C-N-CA 123.69 -1.379 . . . . 0.0 112.342 -1.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.2 165.7 31.3 Favored 'Trans proline' 0 CA--C 1.533 0.465 0 C-N-CA 122.691 2.261 . . . . 0.0 112.068 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -70.94 157.86 95.03 Favored 'Cis proline' 0 C--N 1.353 0.798 0 C-N-CA 124.394 -1.086 . . . . 0.0 114.124 1.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 25.7 m -77.78 139.35 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.276 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.48 ' H ' ' HB3' ' B' ' 67' ' ' LYS . 30.6 mmm180 -134.15 151.12 51.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.452 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -129.21 129.38 44.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.809 0.338 . . . . 0.0 110.762 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . 0.69 HD12 HD22 ' B' ' 65' ' ' LEU . 83.6 mt -117.53 125.52 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.168 179.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 80.1 mt -115.31 125.0 72.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.186 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.65 -178.15 47.78 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.518 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -88.33 109.29 19.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.668 0.27 . . . . 0.0 110.542 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.423 ' HB2' ' HB1' ' B' ' 24' ' ' ALA . 95.7 mt -88.11 2.51 51.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.813 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 69.2 m -64.13 -32.67 74.32 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.179 0.514 . . . . 0.0 110.351 178.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.45 ' OD1' ' HB3' ' B' ' 84' ' ' GLU . 28.6 t-20 -86.38 114.57 23.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.427 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . 0.461 ' HG3' HD11 ' B' ' 31' ' ' ILE . 44.3 ttm180 -60.09 -38.4 82.82 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.23 -178.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . 0.45 ' HB3' ' OD1' ' B' ' 82' ' ' ASN . 88.8 tt0 -58.22 -47.29 83.96 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 120.53 0.205 . . . . 0.0 110.947 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -66.18 -36.95 84.42 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.528 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.412 HG23 ' O ' ' B' ' 82' ' ' ASN . 77.4 t -60.65 -43.28 94.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 67.2 tp -60.76 -43.78 97.59 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.8 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 92.6 mt -61.7 -48.18 89.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.129 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.23 -42.16 96.68 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.035 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 6.2 mp -71.24 -30.84 66.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.461 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 18.1 tpp85 -61.38 -40.69 95.25 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.853 0.358 . . . . 0.0 110.097 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.52 -40.28 96.64 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.932 178.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.47 HD11 HD21 ' B' ' 65' ' ' LEU . 89.7 mt -64.66 -39.62 94.01 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.264 178.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.18 -40.55 96.4 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.125 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.32 -39.75 94.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.673 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -64.6 -40.97 96.47 Favored 'General case' 0 N--CA 1.461 0.103 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.7 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 11.1 tp -76.41 -34.11 24.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.998 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -63.96 -38.48 96.13 Favored Glycine 0 C--N 1.337 0.589 0 C-N-CA 121.066 -0.588 . . . . 0.0 112.32 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -136.51 97.78 3.65 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -69.88 131.24 44.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.135 -178.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -104.99 142.47 34.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.581 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -155.9 159.97 39.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.208 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 31.0 t0 56.89 47.13 18.42 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 123.56 0.538 . . . . 0.0 111.361 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -90.47 104.18 16.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.484 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -156.37 159.05 38.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.281 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 88.2 tttt . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.374 -0.822 . . . . 0.0 110.507 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.983 0.421 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . -122.35 145.01 16.39 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.65 -0.785 . . . . 0.0 112.61 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . 0.48 ' O ' HG22 ' A' ' 657' ' ' ILE . 99.8 mtt180 -75.99 130.84 39.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.482 0.182 . . . . 0.0 110.68 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.455 HD11 HD11 ' A' ' 721' ' ' LEU . 49.6 mm -124.71 126.84 72.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.612 179.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 617' ' ' VAL . . . . . 0.748 HG22 ' HG3' ' A' ' 656' ' ' PRO . 20.5 m -125.3 147.12 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 110.174 178.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.66 HD13 HG21 ' A' ' 629' ' ' ILE . 1.5 tt -124.95 131.46 53.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.92 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 59.3 t -117.21 123.54 71.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 9.5 t -163.81 179.77 6.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.629 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -109.34 -11.68 14.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.356 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -96.53 106.77 19.08 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.804 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 25.6 pm0 -71.55 -19.65 62.13 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -62.56 -40.72 97.75 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -178.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.17 -22.0 53.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.259 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 51.8 m -61.5 -45.59 93.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.208 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 86.6 m -65.47 -42.79 91.89 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.775 0.322 . . . . 0.0 111.338 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.25 -46.94 75.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.634 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 629' ' ' ILE . . . . . 0.66 HG21 HD13 ' A' ' 618' ' ' LEU . 1.0 OUTLIER -65.85 -41.89 91.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.718 -178.882 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 630' ' ' CYS . . . . . 0.53 ' HA ' HG11 ' A' ' 640' ' ' VAL . 92.9 m -62.49 -42.99 99.87 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.126 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . 0.499 ' O ' HG22 ' A' ' 635' ' ' THR . 49.5 m -65.36 -43.13 91.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.415 -179.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 632' ' ' ILE . . . . . 0.42 HD13 ' HA ' ' A' ' 710' ' ' PRO . 91.2 mt -62.15 -47.83 91.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -178.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 633' ' ' LEU . . . . . 0.424 HD23 HG21 ' A' ' 616' ' ' ILE . 0.9 OUTLIER -78.45 -38.23 41.72 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -178.61 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . 0.592 ' HB ' HG21 ' B' ' 7' ' ' THR . 93.6 m -63.4 -44.77 93.74 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -178.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 635' ' ' THR . . . . . 0.532 HG21 ' O ' ' B' ' 4' ' ' LEU . 12.1 t -66.61 -17.41 64.82 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.692 0.282 . . . . 0.0 111.467 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -87.43 -0.24 56.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.378 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 94.95 9.12 58.63 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.71 -0.757 . . . . 0.0 113.199 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 638' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -96.62 147.19 24.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.967 0.383 . . . . 0.0 110.886 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 639' ' ' GLN . . . . . 0.753 HE21 HD22 ' B' ' 32' ' ' LEU . 21.5 tm0? -84.99 127.63 34.27 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 179.071 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 640' ' ' VAL . . . . . 0.53 HG11 ' HA ' ' A' ' 630' ' ' CYS . 59.0 t -127.29 127.37 69.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -177.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 641' ' ' ILE . . . . . 0.741 HG21 HD13 ' A' ' 654' ' ' LEU . 85.3 mt -126.68 127.24 69.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.035 177.242 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 642' ' ' TRP . . . . . 0.442 ' HB3' ' HG2' ' B' ' 43' ' ' LYS . 28.6 t-105 -93.67 116.43 28.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.342 -0.39 . . . . 0.0 109.957 179.003 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . 0.46 HD21 HD12 ' A' ' 654' ' ' LEU . 89.5 mt -114.51 138.38 50.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.752 0.311 . . . . 0.0 110.591 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 644' ' ' VAL . . . . . 0.429 HG22 ' H ' ' A' ' 644' ' ' VAL . 2.4 m -80.16 148.96 5.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.269 0.557 . . . . 0.0 110.943 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -64.9 146.36 55.04 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -178.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 103.04 -12.29 55.88 Favored Glycine 0 C--N 1.337 0.592 0 N-CA-C 115.168 0.827 . . . . 0.0 115.168 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -114.62 113.49 24.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 118.31 1.055 . . . . 0.0 112.907 -179.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . 0.441 HG21 ' OE1' ' A' ' 676' ' ' GLN . 58.5 t -83.95 -35.26 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.487 178.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 46.7 mp0 -58.73 -37.08 75.39 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 14.9 mmp_? -62.28 -38.75 90.53 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -70.69 -44.24 67.4 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.925 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 68.3 tp -64.91 -46.23 82.59 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.79 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . 0.747 ' HB2' HG13 ' B' ' 22' ' ' VAL . . . -59.93 -39.5 85.72 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.291 0.567 . . . . 0.0 111.572 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . 0.741 HD13 HG21 ' A' ' 641' ' ' ILE . 91.0 mt -106.64 30.03 6.42 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.08 -179.436 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 655' ' ' THR . . . . . . . . . . . . . 4.5 t -42.2 106.18 0.44 Allowed Pre-proline 0 N--CA 1.471 0.622 0 CA-C-O 121.915 0.864 . . . . 0.0 112.764 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 656' ' ' PRO . . . . . 0.748 ' HG3' HG22 ' A' ' 617' ' ' VAL . 34.0 Cg_endo -88.81 177.01 3.18 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 123.939 3.093 . . . . 0.0 113.415 -179.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.48 HG22 ' O ' ' A' ' 615' ' ' ARG . 20.5 tt -74.64 -28.6 22.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.384 177.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -149.3 148.6 29.73 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.702 179.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.51 HG23 HD11 ' A' ' 686' ' ' LEU . 70.4 t -116.95 127.52 74.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.742 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.56 HD23 ' HB2' ' A' ' 689' ' ' PHE . 72.6 mt -105.0 122.04 45.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.38 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . 0.42 ' O ' ' HA ' ' A' ' 690' ' ' ILE . 67.9 mt -112.23 129.08 56.38 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 179.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -124.6 143.18 50.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.013 0.435 . . . . 0.0 111.916 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -72.21 157.73 88.78 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.868 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 664' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -82.64 147.42 63.53 Favored 'Cis proline' 0 C--N 1.352 0.742 0 C-N-CA 124.094 -1.211 . . . . 0.0 113.887 -0.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -116.64 79.82 1.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.628 178.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 79.5 p -99.59 -31.81 11.41 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -70.11 -42.03 73.21 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 120.841 0.353 . . . . 0.0 111.643 -179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . -127.32 156.85 20.59 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.624 -179.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 669' ' ' ASP . . . . . 0.406 ' OD2' ' HB2' ' A' ' 671' ' ' GLN . 38.5 t70 -92.92 127.94 38.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.546 0.212 . . . . 0.0 110.967 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 670' ' ' VAL . . . . . 0.44 ' O ' HG23 ' A' ' 674' ' ' VAL . 72.3 t -59.94 -44.65 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.251 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 671' ' ' GLN . . . . . 0.406 ' HB2' ' OD2' ' A' ' 669' ' ' ASP . 28.4 mm100 -61.42 -39.05 89.37 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.901 0.381 . . . . 0.0 110.372 179.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -60.84 -45.76 93.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.848 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 89.3 mt -65.04 -40.89 95.44 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.33 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . 0.47 HG22 HD13 ' A' ' 688' ' ' ILE . 65.0 t -60.93 -47.7 92.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 -179.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -62.38 -44.95 95.24 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.825 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . 0.441 ' OE1' HG21 ' A' ' 648' ' ' VAL . 53.3 tt0 -67.38 -39.34 85.62 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.653 -179.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.53 -37.72 88.37 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.912 -0.131 . . . . 0.0 111.196 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -61.07 -36.73 80.41 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.065 0.459 . . . . 0.0 110.511 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -63.25 -36.34 83.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.33 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -87.74 -47.81 8.35 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.826 -178.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 75.9 m -127.62 142.96 51.21 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.793 0.33 . . . . 0.0 110.951 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 54.1 p -72.7 152.59 91.45 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.707 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -62.45 -25.86 76.22 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 122.627 2.218 . . . . 0.0 113.373 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -76.47 -21.47 55.81 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -96.48 -35.27 11.19 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.064 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 686' ' ' LEU . . . . . 0.51 HD11 HG23 ' A' ' 659' ' ' VAL . 0.7 OUTLIER -131.93 130.61 41.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.872 179.534 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -114.84 149.22 37.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.065 0.459 . . . . 0.0 111.304 -179.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 688' ' ' ILE . . . . . 0.47 HD13 HG22 ' A' ' 674' ' ' VAL . 78.7 mt -111.31 128.42 67.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.676 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 689' ' ' PHE . . . . . 0.56 ' HB2' HD23 ' A' ' 660' ' ' LEU . 92.0 m-85 -122.95 145.57 48.36 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 690' ' ' ILE . . . . . 0.505 HD12 HG21 ' A' ' 700' ' ' VAL . 94.7 mt -122.67 129.82 74.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.255 0.55 . . . . 0.0 111.899 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 691' ' ' LEU . . . . . 0.515 HD11 ' HE1' ' A' ' 713' ' ' PHE . 4.1 mp -88.91 112.95 23.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.245 178.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 151.56 -166.27 30.69 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.635 -179.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 63.6 m -118.87 136.34 54.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.985 0.392 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 53.9 -131.77 1.99 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.827 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . 100.66 -21.57 43.36 Favored Glycine 0 C--N 1.332 0.354 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.865 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 59.7 t30 52.66 50.7 17.58 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 122.758 0.423 . . . . 0.0 112.099 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -102.96 140.97 36.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.175 0.512 . . . . 0.0 111.436 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -91.82 154.46 18.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.229 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 80.11 17.46 74.34 Favored Glycine 0 C--N 1.333 0.397 0 C-N-CA 120.72 -0.752 . . . . 0.0 113.002 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 700' ' ' VAL . . . . . 0.505 HG21 HD12 ' A' ' 690' ' ' ILE . 48.3 t -105.02 118.41 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.775 0.321 . . . . 0.0 110.328 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -70.28 -41.49 73.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.037 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 18.0 tpt180 -154.5 145.21 22.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.744 0.307 . . . . 0.0 111.452 -178.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -105.08 141.94 35.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.144 178.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 704' ' ' ILE . . . . . . . . . . . . . 4.1 mm -108.27 99.92 34.56 Favored Pre-proline 0 C--N 1.329 -0.293 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -59.3 143.73 99.63 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.081 2.521 . . . . 0.0 113.28 -179.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . 0.821 HD23 HG23 ' A' ' 708' ' ' ILE . 79.2 mt -102.6 145.33 30.33 Favored Pre-proline 0 C--O 1.233 0.214 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.436 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 707' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -72.33 159.16 96.43 Favored 'Cis proline' 0 C--N 1.35 0.61 0 C-N-CA 123.845 -1.315 . . . . 0.0 112.484 -0.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 708' ' ' ILE . . . . . 0.821 HG23 HD23 ' A' ' 706' ' ' LEU . 45.3 pt -105.96 152.41 7.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.274 0.559 . . . . 0.0 111.597 -179.171 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -112.79 149.29 40.99 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 710' ' ' PRO . . . . . 0.42 ' HA ' HD13 ' A' ' 632' ' ' ILE . 85.9 Cg_exo -52.87 -49.25 18.22 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.547 2.165 . . . . 0.0 113.227 -179.204 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 51.3 mp0 -66.93 -40.47 87.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.096 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 68.0 m -63.45 -46.46 86.16 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.22 -179.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 713' ' ' PHE . . . . . 0.515 ' HE1' HD11 ' A' ' 691' ' ' LEU . 87.0 t80 -60.28 -48.43 81.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.762 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 65.0 tp -62.09 -45.32 94.03 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.057 -0.519 . . . . 0.0 112.373 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -64.83 -41.26 95.89 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -178.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.73 -46.38 85.62 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.497 0.189 . . . . 0.0 111.097 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 717' ' ' VAL . . . . . 0.415 ' O ' ' HG ' ' A' ' 721' ' ' LEU . 64.7 t -63.93 -45.15 97.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.919 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 93.7 m -62.08 -46.84 87.31 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.005 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -62.82 -40.65 98.05 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.326 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -62.04 -40.54 99.05 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.244 -0.979 . . . . 0.0 111.723 178.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 721' ' ' LEU . . . . . 0.455 HD11 HD11 ' A' ' 616' ' ' ILE . 94.5 mt -66.79 -38.2 86.07 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 76.8 p -67.66 -23.6 65.34 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 95.6 p -89.72 -4.75 57.56 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.585 0.231 . . . . 0.0 111.35 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 724' ' ' LEU . . . . . . . . . . . . . 1.5 tt -66.12 -41.55 90.38 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.243 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -147.17 155.53 42.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.864 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 70.2 p -70.44 -26.4 63.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.599 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 61.1 m -118.85 139.54 51.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.455 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -62.81 -40.53 97.68 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.627 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.361 -0.828 . . . . 0.0 110.613 179.81 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 63.0 mtt . . . . . 0 N--CA 1.489 1.513 0 CA-C-O 120.597 0.237 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.63 62.93 10.18 Favored Pre-proline 0 N--CA 1.469 0.499 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.302 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -70.46 -19.37 32.87 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.652 2.235 . . . . 0.0 113.564 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.615 ' H ' HD23 ' B' ' 4' ' ' LEU . 1.1 pt? -92.25 53.49 2.14 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.396 0.617 . . . . 0.0 111.697 -179.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 -124.02 22.61 8.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.761 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.68 72.5 8.67 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.592 HG21 ' HB ' ' A' ' 634' ' ' THR . 81.6 p -130.32 157.16 43.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.398 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -108.62 153.39 23.47 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 14.5 m -126.48 133.5 68.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.442 0.639 . . . . 0.0 112.518 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mp -103.46 128.48 50.62 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.852 178.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.818 ' HB2' ' HB3' ' B' ' 66' ' ' ALA . 21.4 mmmt -100.99 109.06 20.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.775 0.321 . . . . 0.0 110.392 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.475 ' HB2' HD11 ' B' ' 42' ' ' LEU . 1.4 tt -102.16 113.37 26.57 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.375 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' TYR . . . . . 0.493 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 92.9 m-85 -98.64 130.65 45.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.775 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 16.6 m -131.63 166.6 28.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.095 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -133.56 115.66 14.98 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.506 -179.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.03 -176.79 51.97 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.008 -0.615 . . . . 0.0 113.846 178.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 33.1 p-10 -109.95 28.02 9.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.324 -0.438 . . . . 0.0 110.934 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 68.2 p -69.13 155.06 94.31 Favored Pre-proline 0 C--O 1.235 0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.69 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -55.47 -36.53 94.37 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 123.266 2.644 . . . . 0.0 113.289 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -60.53 -42.93 97.49 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.849 0.357 . . . . 0.0 110.787 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 74.8 m -68.43 -39.52 81.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.277 0.56 . . . . 0.0 109.933 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.747 HG13 ' HB2' ' A' ' 653' ' ' ALA . 56.2 t -63.84 -47.36 91.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 115.158 -0.928 . . . . 0.0 112.123 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 41.6 ptt180 -69.78 -29.74 67.13 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -178.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.75 -42.75 99.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.819 0.343 . . . . 0.0 111.825 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.472 ' HB3' HD21 ' A' ' 654' ' ' LEU . 81.8 mt -65.59 -42.94 91.12 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -179.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -70.15 -32.61 70.67 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -178.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 50.4 p -71.8 -40.05 69.45 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.332 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.591 ' HA ' HG11 ' B' ' 86' ' ' VAL . 3.9 tt -70.07 -41.28 74.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.952 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.33 -40.39 94.06 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.689 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -61.48 -44.28 97.37 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.798 0.333 . . . . 0.0 110.743 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.41 HD11 ' HG3' ' B' ' 83' ' ' ARG . 95.4 mt -67.77 -41.16 84.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.422 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.753 HD22 HE21 ' A' ' 639' ' ' GLN . 9.6 tt -61.84 -47.18 86.24 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.022 -179.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' B' ' 37' ' ' LYS . 22.4 pt-20 -71.81 -18.89 62.06 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -178.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -97.76 -61.83 1.33 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.486 ' O ' ' HD1' ' B' ' 36' ' ' PHE . 80.1 mm-40 -66.21 -44.46 83.81 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -177.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . 0.486 ' HD1' ' O ' ' B' ' 35' ' ' GLU . 0.6 OUTLIER -131.69 64.58 1.59 Allowed 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -178.369 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' B' ' 33' ' ' GLU . 64.7 tttm -74.34 126.09 29.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.99 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.5 18.92 72.5 Favored Glycine 0 CA--C 1.522 0.494 0 C-N-CA 121.013 -0.613 . . . . 0.0 113.79 179.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 47.8 t -109.12 -42.77 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 117.149 0.474 . . . . 0.0 111.807 -179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -145.09 161.37 39.61 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.258 0.551 . . . . 0.0 111.981 -179.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.25 157.88 21.19 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.581 -178.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.475 HD11 ' HB2' ' B' ' 12' ' ' LEU . 65.1 tp -114.48 132.15 56.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.664 -179.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.442 ' HG2' ' HB3' ' A' ' 642' ' ' TRP . 99.4 mttt -116.53 135.09 54.11 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.422 ' HB ' HD23 ' A' ' 643' ' ' LEU . 58.9 t -121.44 125.87 74.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 120.942 0.401 . . . . 0.0 111.878 -178.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.9 mp -127.13 135.53 63.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.535 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -94.35 112.53 24.32 Favored 'General case' 0 N--CA 1.461 0.118 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 35.6 m -65.02 -30.29 49.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -177.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 90.2 mt -67.18 -41.56 85.7 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -71.46 -38.71 71.25 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -128.47 78.51 75.65 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 120.659 0.266 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -56.86 -31.89 90.38 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 123.22 2.614 . . . . 0.0 112.909 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 18.7 pm0 -63.53 -30.54 71.64 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.785 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 86.5 mt -69.04 -41.26 77.89 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 110.082 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.87 95.76 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.377 178.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.44 -37.13 85.98 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.904 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -66.88 -40.48 87.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.037 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -96.15 6.87 47.86 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -179.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm 56.76 47.5 18.01 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 48.7 mm -107.36 118.08 54.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' B' ' 60' ' ' LEU . 1.1 mm? -121.63 14.37 10.98 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -179.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -147.81 153.4 39.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.693 -0.23 . . . . 0.0 110.885 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 66.3 p -143.16 146.62 37.44 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.915 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . 0.571 ' HB2' HD12 ' B' ' 80' ' ' LEU . 92.7 Cg_endo -80.11 143.6 66.35 Favored 'Cis proline' 0 C--N 1.348 0.529 0 C-N-CA 123.387 -1.505 . . . . 0.0 112.487 -1.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 99.0 m -130.21 134.5 47.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.245 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 75.0 mt -101.68 121.56 42.25 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.821 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . 0.818 ' HB3' ' HB2' ' B' ' 11' ' ' LYS . . . -112.26 133.7 54.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.252 179.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -104.1 106.77 17.39 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.832 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.604 HG12 ' HG ' ' B' ' 69' ' ' LEU . 86.3 t -74.98 -49.29 29.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.232 0.539 . . . . 0.0 109.838 178.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.604 ' HG ' HG12 ' B' ' 68' ' ' VAL . 82.8 mt -137.96 146.31 51.76 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.014 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -77.63 153.98 94.62 Favored 'Cis proline' 0 C--N 1.347 0.481 0 C-N-CA 123.818 -1.326 . . . . 0.0 112.159 -1.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -74.88 164.49 33.38 Favored 'Trans proline' 0 CA--C 1.534 0.5 0 C-N-CA 122.508 2.139 . . . . 0.0 112.268 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -71.09 157.59 95.57 Favored 'Cis proline' 0 C--N 1.353 0.769 0 C-N-CA 124.032 -1.237 . . . . 0.0 113.462 0.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 88.9 t -70.38 126.21 30.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.673 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -126.45 154.02 44.25 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.546 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -123.49 136.03 54.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.685 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 81.2 mt -117.05 121.26 67.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.279 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 82.1 mt -118.57 125.95 74.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.805 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 179.76 -169.34 40.2 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.318 -0.944 . . . . 0.0 112.571 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -85.97 102.89 14.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.685 0.279 . . . . 0.0 110.819 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.571 HD12 ' HB2' ' B' ' 63' ' ' PRO . 96.2 mt -91.31 -1.23 57.7 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.972 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 87.0 p -70.73 -21.96 62.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.206 0.527 . . . . 0.0 110.029 178.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 63.6 t-20 -94.43 115.83 28.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.709 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . 0.41 ' HG3' HD11 ' B' ' 31' ' ' ILE . 60.0 ttp180 -59.27 -36.57 75.77 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.542 -179.351 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.87 -45.76 89.41 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.634 0.254 . . . . 0.0 110.655 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . 0.517 ' HA ' HD12 ' B' ' 88' ' ' ILE . 30.0 mtpp -67.5 -36.68 81.55 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.608 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.591 HG11 ' HA ' ' B' ' 28' ' ' LEU . 78.1 t -60.03 -43.1 91.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.308 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.478 ' O ' ' HG2' ' B' ' 91' ' ' ARG . 63.3 tp -61.24 -41.62 97.2 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.819 178.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . 0.517 HD12 ' HA ' ' B' ' 85' ' ' LYS . 89.3 mt -60.08 -48.27 88.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.158 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.35 -42.46 96.24 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.975 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 81.9 mt -67.6 -35.57 79.23 Favored 'General case' 0 N--CA 1.462 0.175 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.478 ' HG2' ' O ' ' B' ' 87' ' ' LEU . 25.7 mmt85 -60.73 -39.63 89.36 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.9 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 88.9 mt -64.05 -41.29 97.44 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 120.969 0.414 . . . . 0.0 110.169 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 89.1 mt -66.96 -39.74 87.33 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.853 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.56 93.82 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.405 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.1 -39.27 94.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.733 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.74 -42.13 97.93 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.788 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 10.6 tp -76.66 -34.81 24.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-O 120.653 0.264 . . . . 0.0 110.984 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -64.04 -38.33 95.87 Favored Glycine 0 C--N 1.335 0.504 0 C-N-CA 121.194 -0.527 . . . . 0.0 112.744 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -86.09 75.4 9.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 0.0 110.633 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -111.53 122.88 49.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.309 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 59.6 mtmt -73.9 146.49 43.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.09 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 31.4 t0 59.07 48.43 10.67 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.007 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -87.1 104.27 16.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.448 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -91.33 101.89 14.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.56 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -150.13 173.92 13.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.47 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp . . . . . 0 C--O 1.249 1.069 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.499 179.95 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 . . . . . 0 N--CA 1.485 1.276 0 CA-C-O 120.648 0.261 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 614' ' ' GLY . . . . . 0.471 ' H ' HD13 ' A' ' 657' ' ' ILE . . . -91.67 -168.26 40.95 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 120.827 -0.701 . . . . 0.0 113.303 -179.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -80.5 150.84 29.5 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.965 0.412 . . . . 0.0 111.711 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.522 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 94.5 mt -122.01 128.39 75.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.878 178.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 617' ' ' VAL . . . . . 0.647 HG23 ' HB3' ' A' ' 656' ' ' PRO . 82.1 t -111.24 126.47 68.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.348 0.594 . . . . 0.0 111.472 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.447 HD22 ' HB2' ' A' ' 660' ' ' LEU . 0.2 OUTLIER -104.95 117.74 34.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.691 179.305 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 619' ' ' VAL . . . . . 0.564 ' HB ' HD23 ' A' ' 661' ' ' LEU . 60.0 t -111.66 111.86 38.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . 0.613 ' HB3' ' HB3' ' A' ' 662' ' ' ALA . 83.7 p -160.08 163.3 33.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.023 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -95.84 -6.8 38.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.823 0.344 . . . . 0.0 110.585 179.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -97.94 101.13 12.53 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.958 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.21 -38.89 92.68 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.582 -0.736 . . . . 0.0 112.58 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -60.3 -43.45 96.28 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 89.9 m -65.53 -43.33 90.32 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.11 0.481 . . . . 0.0 110.388 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 74.4 m -63.51 -38.93 93.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.811 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 91.1 m -60.32 -43.42 96.41 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.962 0.41 . . . . 0.0 110.197 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 62.9 tp -61.99 -49.39 76.25 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.467 179.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 629' ' ' ILE . . . . . 0.415 ' HA ' HD12 ' A' ' 632' ' ' ILE . 72.2 mt -64.73 -37.88 81.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.734 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 89.9 m -59.05 -42.71 90.96 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 66.9 m -65.72 -39.61 91.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.115 0.484 . . . . 0.0 109.897 177.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 632' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 629' ' ' ILE . 72.7 mt -60.96 -48.0 90.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.883 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 633' ' ' LEU . . . . . 0.567 ' HB2' HG21 ' A' ' 640' ' ' VAL . 85.2 mt -87.0 -36.94 17.95 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . 0.72 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 94.4 m -63.48 -42.66 98.56 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 635' ' ' THR . . . . . . . . . . . . . 14.6 m -61.28 -36.14 79.23 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.941 0.401 . . . . 0.0 110.75 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -69.81 -8.28 46.97 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.934 -0.575 . . . . 0.0 112.373 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 107.7 7.79 31.21 Favored Glycine 0 C--N 1.333 0.387 0 C-N-CA 120.437 -0.887 . . . . 0.0 113.224 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 638' ' ' TYR . . . . . 0.72 ' O ' ' HA ' ' A' ' 634' ' ' THR . 95.8 m-85 -98.52 148.38 23.81 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -101.71 112.28 24.81 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 640' ' ' VAL . . . . . 0.567 HG21 ' HB2' ' A' ' 633' ' ' LEU . 59.3 t -108.03 129.44 62.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -178.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 641' ' ' ILE . . . . . 0.613 HG21 HD13 ' A' ' 654' ' ' LEU . 78.6 mt -120.63 125.95 74.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.099 177.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 642' ' ' TRP . . . . . . . . . . . . . 73.1 t90 -94.59 117.06 29.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.963 0.411 . . . . 0.0 110.256 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . 0.522 HD21 HD12 ' A' ' 654' ' ' LEU . 91.9 mt -112.66 141.51 46.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.57 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 12.2 m -75.51 154.15 6.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -77.1 159.78 29.54 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -177.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 103.77 -18.19 47.63 Favored Glycine 0 CA--C 1.524 0.624 0 CA-C-N 115.408 -0.814 . . . . 0.0 114.613 179.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -115.53 117.25 29.81 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 118.311 1.055 . . . . 0.0 112.314 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 62.4 t -83.85 -37.51 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.845 178.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 49.7 mp0 -58.9 -35.63 73.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.635 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . 0.484 HH22 ' HB3' ' B' ' 21' ' ' SER . 40.8 mmt180 -62.59 -38.3 89.57 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.42 -40.45 85.52 Favored 'General case' 0 C--O 1.227 -0.085 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.064 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.465 ' HA ' HG23 ' A' ' 655' ' ' THR . 3.5 mm? -69.25 -39.4 78.5 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.833 179.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -59.17 -39.84 83.75 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.145 0.498 . . . . 0.0 111.248 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . 0.613 HD13 HG21 ' A' ' 641' ' ' ILE . 91.2 mt -109.38 29.85 7.16 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.453 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 655' ' ' THR . . . . . 0.465 HG23 ' HA ' ' A' ' 652' ' ' LEU . 0.0 OUTLIER -31.03 102.76 0.2 Allowed Pre-proline 0 N--CA 1.476 0.857 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 -178.446 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 656' ' ' PRO . . . . . 0.647 ' HB3' HG23 ' A' ' 617' ' ' VAL . 43.0 Cg_endo -87.44 173.95 5.26 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.827 3.018 . . . . 0.0 112.786 179.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.501 ' O ' ' HA ' ' A' ' 686' ' ' LEU . 45.0 pt -82.28 -20.41 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.406 0.622 . . . . 0.0 109.418 177.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -152.31 145.07 24.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.293 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.558 HG23 HD11 ' A' ' 686' ' ' LEU . 65.9 t -116.58 123.51 71.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.211 179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.447 ' HB2' HD22 ' A' ' 618' ' ' LEU . 6.2 mp -106.87 116.63 32.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.17 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . 0.564 HD23 ' HB ' ' A' ' 619' ' ' VAL . 81.3 mt -105.01 124.08 48.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.844 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . 0.613 ' HB3' ' HB3' ' A' ' 620' ' ' SER . . . -121.28 140.44 52.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.071 0.463 . . . . 0.0 111.849 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . 0.513 ' HB2' ' HA ' ' A' ' 664' ' ' PRO . 21.0 pt-20 -73.43 161.38 79.32 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.896 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 664' ' ' PRO . . . . . 0.513 ' HA ' ' HB2' ' A' ' 663' ' ' GLU . 97.6 Cg_endo -80.48 159.21 85.78 Favored 'Cis proline' 0 C--N 1.353 0.814 0 C-N-CA 124.494 -1.044 . . . . 0.0 113.827 -0.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -113.39 96.76 6.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.858 178.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 50.7 m -98.6 -29.02 13.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 111.138 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -112.23 108.75 18.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.637 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 90.85 158.43 34.67 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.902 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -96.08 121.79 38.22 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.447 -0.205 . . . . 0.0 110.447 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 670' ' ' VAL . . . . . 0.453 HG23 HD13 ' A' ' 661' ' ' LEU . 7.1 p -57.21 -40.79 75.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -179.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -65.66 -38.99 90.85 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.981 0.419 . . . . 0.0 110.949 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . 0.514 ' HG3' ' OE1' ' A' ' 676' ' ' GLN . 53.6 tp10 -62.73 -39.87 95.41 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.521 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 84.1 mt -60.73 -40.81 93.76 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.829 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . 0.69 HG22 HG21 ' A' ' 688' ' ' ILE . 77.6 t -61.19 -44.14 97.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.018 179.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 675' ' ' ASP . . . . . 0.425 ' O ' ' HG2' ' A' ' 679' ' ' GLN . 36.1 t70 -60.79 -46.68 89.56 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.791 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . 0.514 ' OE1' ' HG3' ' A' ' 672' ' ' GLU . 4.5 mp0 -65.31 -45.59 83.74 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.94 -39.61 95.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.587 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 38.0 ttp-105 -62.68 -38.6 91.01 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.951 0.405 . . . . 0.0 110.938 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 675' ' ' ASP . 99.4 mm-40 -70.49 -25.87 63.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.854 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 680' ' ' ARG . . . . . 0.457 ' HG3' HD21 ' A' ' 652' ' ' LEU . 5.1 mmp_? -88.23 -43.83 11.3 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 111.525 0.195 . . . . 0.0 111.525 -179.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 71.6 m -127.67 142.51 51.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.745 0.307 . . . . 0.0 111.15 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 78.7 p -72.37 153.92 91.97 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.663 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.87 -27.1 84.26 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.469 2.113 . . . . 0.0 113.313 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -74.39 -23.06 58.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.797 0.332 . . . . 0.0 110.81 179.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 20.4 tm0? -97.64 -36.89 10.12 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.028 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 686' ' ' LEU . . . . . 0.558 HD11 HG23 ' A' ' 659' ' ' VAL . 0.4 OUTLIER -137.52 131.87 32.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.998 0.427 . . . . 0.0 110.57 179.793 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -112.3 148.81 33.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.612 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 688' ' ' ILE . . . . . 0.69 HG21 HG22 ' A' ' 674' ' ' VAL . 48.0 mm -108.39 126.0 65.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.582 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 689' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -124.9 144.76 50.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.194 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 690' ' ' ILE . . . . . 0.406 HG21 ' HB2' ' A' ' 693' ' ' SER . 91.4 mt -115.95 127.7 73.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.073 0.463 . . . . 0.0 110.476 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 691' ' ' LEU . . . . . 0.736 HD21 HD12 ' A' ' 708' ' ' ILE . 1.2 tt -104.53 121.42 43.44 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.272 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 108.96 -61.0 0.31 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.75 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 693' ' ' SER . . . . . 0.406 ' HB2' HG21 ' A' ' 690' ' ' ILE . 55.0 m -72.82 150.8 42.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.757 0.313 . . . . 0.0 110.739 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -136.43 156.9 47.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.742 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . 130.44 -167.8 21.86 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.092 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -92.5 108.3 19.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.696 0.284 . . . . 0.0 110.603 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -118.97 140.2 50.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.383 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -82.07 135.13 35.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.751 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 82.4 3.65 90.46 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.863 -0.684 . . . . 0.0 113.181 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 62.2 t -110.16 120.68 61.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.902 0.382 . . . . 0.0 110.668 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -69.43 -43.22 73.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.497 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -159.65 151.87 20.88 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.852 0.358 . . . . 0.0 111.667 -178.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -114.56 150.02 35.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.772 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 704' ' ' ILE . . . . . 0.427 ' HB ' ' HG ' ' A' ' 691' ' ' LEU . 21.8 mm -102.78 108.22 57.38 Favored Pre-proline 0 C--O 1.235 0.297 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.724 -179.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -63.24 150.89 87.34 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 123.481 2.787 . . . . 0.0 113.18 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . 0.524 ' HA ' ' C ' ' A' ' 707' ' ' PRO . 97.6 mt -114.34 155.18 46.1 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.221 179.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 707' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 706' ' ' LEU . 31.9 Cg_exo -61.48 147.02 49.56 Favored 'Cis proline' 0 C--N 1.353 0.779 0 C-N-CA 124.47 -1.054 . . . . 0.0 113.24 -0.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 708' ' ' ILE . . . . . 0.736 HD12 HD21 ' A' ' 691' ' ' LEU . 13.8 tt -80.23 128.35 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-O 121.327 0.584 . . . . 0.0 111.525 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -116.22 135.99 22.93 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 178.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -51.94 -48.81 19.68 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.744 2.296 . . . . 0.0 113.778 -178.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -64.03 -43.18 96.38 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.05 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 69.1 m -64.54 -46.23 83.72 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.969 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 713' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -60.05 -49.28 78.27 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.346 179.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 62.5 tp -60.78 -44.52 96.68 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.167 -0.469 . . . . 0.0 112.052 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -64.44 -42.72 95.83 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.549 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -67.35 -41.21 85.53 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 717' ' ' VAL . . . . . 0.438 HG11 HD21 ' A' ' 633' ' ' LEU . 9.8 p -72.63 -39.48 61.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.902 -179.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 718' ' ' THR . . . . . 0.409 ' O ' HG23 ' A' ' 722' ' ' THR . 92.7 m -61.67 -47.79 83.74 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -62.44 -40.27 96.03 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.55 0.214 . . . . 0.0 111.078 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -63.8 -41.86 98.71 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.463 -0.875 . . . . 0.0 111.92 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 94.4 mt -67.97 -37.86 82.05 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 722' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 718' ' ' THR . 67.6 p -68.54 -15.51 63.56 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 111.768 0.285 . . . . 0.0 111.768 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 64.3 m -84.97 -11.78 54.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.646 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 724' ' ' LEU . . . . . . . . . . . . . 1.4 tt -69.48 -45.22 69.5 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.48 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -172.39 -72.03 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.903 0.382 . . . . 0.0 111.373 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 68.1 p -81.89 161.25 23.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.646 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 98.3 p -148.64 161.51 41.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.557 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -70.85 143.71 50.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.091 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.118 -0.944 . . . . 0.0 110.415 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 78.4 mtm . . . . . 0 N--CA 1.484 1.264 0 CA-C-O 120.675 0.274 . . . . 0.0 110.673 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.12 110.74 63.55 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -59.22 140.88 96.82 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.935 2.423 . . . . 0.0 112.541 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.409 ' C ' ' HD2' ' B' ' 5' ' ' ARG . 4.2 mp -88.55 64.73 7.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.753 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.409 ' HD2' ' C ' ' B' ' 4' ' ' LEU . 2.7 mpt_? -125.78 36.82 4.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.955 -179.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -106.16 93.89 4.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.729 0.3 . . . . 0.0 111.777 -179.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.41 HG21 ' HB ' ' A' ' 634' ' ' THR . 60.7 p -132.6 160.02 37.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.352 179.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.47 145.91 25.26 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 79.4 t -112.7 121.74 65.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.3 0.571 . . . . 0.0 112.241 -178.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.539 HD11 ' HG ' ' B' ' 65' ' ' LEU . 48.8 tp -109.43 125.65 52.64 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.386 178.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.421 ' HG2' ' HB2' ' B' ' 43' ' ' LYS . 56.8 mtpt -106.94 148.16 28.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.075 0.464 . . . . 0.0 111.856 -178.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.69 118.22 19.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.221 179.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 74.6 m-85 -98.17 130.27 44.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.905 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 16.9 m -132.78 164.98 33.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.278 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -131.26 118.39 20.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.729 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.22 -165.13 46.56 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.036 -0.602 . . . . 0.0 113.348 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -120.98 36.8 4.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.959 0.409 . . . . 0.0 110.607 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 58.4 p -72.1 150.78 92.47 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -55.38 -38.96 93.44 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 123.041 2.494 . . . . 0.0 113.188 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -61.7 -41.49 97.68 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.929 0.395 . . . . 0.0 110.437 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.484 ' HB3' HH22 ' A' ' 650' ' ' ARG . 68.2 m -69.96 -39.78 75.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.38 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 63.4 t -65.44 -46.09 91.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.514 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -68.2 -27.87 66.76 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.946 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.61 94.54 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.672 0.272 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 82.4 mt -65.17 -39.52 93.04 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 120.992 0.425 . . . . 0.0 110.822 178.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -64.88 -40.93 95.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.781 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.783 HG23 ' HG3' ' B' ' 83' ' ' ARG . 91.5 m -65.38 -44.94 85.97 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.562 178.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' B' ' 28' ' ' LEU . 0.5 OUTLIER -65.04 -48.49 73.67 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.68 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -40.96 96.42 Favored 'General case' 0 C--O 1.222 -0.361 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -60.79 -46.85 88.88 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -178.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.7 mt -71.13 -42.0 75.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.22 0.533 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.685 HD11 ' HB2' ' B' ' 40' ' ' TYR . 59.3 tp -67.89 -41.22 83.09 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.265 -178.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.547 ' O ' ' HB3' ' B' ' 37' ' ' LYS . 13.1 tm-20 -62.09 -37.72 86.15 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -177.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -96.62 -61.41 1.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -178.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -70.23 -38.74 75.27 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 -176.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . 0.676 ' HB2' HD12 ' B' ' 32' ' ' LEU . 76.1 m-85 -117.93 39.39 3.39 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -176.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.547 ' HB3' ' O ' ' B' ' 33' ' ' GLU . 9.8 ptmm? -79.14 144.76 34.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.16 0.505 . . . . 0.0 112.249 -179.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.458 ' HA2' ' O ' ' A' ' 634' ' ' THR . . . 82.93 0.47 90.28 Favored Glycine 0 C--N 1.333 0.401 0 N-CA-C 114.822 0.689 . . . . 0.0 114.822 178.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -125.53 -29.06 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 118.017 0.908 . . . . 0.0 113.219 -179.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . 0.685 ' HB2' HD11 ' B' ' 32' ' ' LEU . 99.0 m-85 -127.43 139.63 52.7 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -178.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.26 151.04 27.85 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.449 ' HB3' HG12 ' A' ' 641' ' ' ILE . 62.5 tp -114.67 136.48 53.0 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -177.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.421 ' HB2' ' HG2' ' B' ' 11' ' ' LYS . 98.2 mttt -122.26 136.32 54.88 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.356 178.385 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 58.7 t -122.17 125.66 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 120.885 0.374 . . . . 0.0 111.796 -179.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.3 mp -125.1 133.89 68.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.091 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -94.04 110.44 22.13 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 34.0 m -65.25 -27.55 42.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -177.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 88.4 mt -66.46 -40.77 89.57 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -71.03 -38.82 72.59 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.754 ' OD1' ' HG ' ' B' ' 53' ' ' LEU . 13.5 t-20 -135.34 86.36 30.37 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.06 -27.67 65.67 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 123.054 2.502 . . . . 0.0 114.547 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.466 ' HG2' ' OD1' ' B' ' 50' ' ' ASN . 16.3 pm0 -68.84 -23.69 64.27 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 120.617 -0.433 . . . . 0.0 112.036 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.754 ' HG ' ' OD1' ' B' ' 50' ' ' ASN . 86.4 mt -64.69 -41.49 95.99 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.691 -0.403 . . . . 0.0 109.988 178.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.45 -40.56 93.38 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.521 178.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.66 -36.57 84.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.675 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -64.84 -40.0 94.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.129 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -98.06 12.2 35.12 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 111.825 0.305 . . . . 0.0 111.825 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 68.5 mttm 57.46 45.74 19.2 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.41 HD12 HG21 ' B' ' 64' ' ' THR . 44.7 mm -105.32 116.25 48.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 89.8 mt -113.61 6.47 16.98 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -148.79 160.44 43.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.568 0.223 . . . . 0.0 111.397 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 52.1 p -143.67 147.57 39.61 Favored Pre-proline 0 N--CA 1.464 0.237 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.693 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . 0.431 ' HA ' ' O ' ' B' ' 13' ' ' TYR . 96.6 Cg_endo -78.34 144.56 75.51 Favored 'Cis proline' 0 C--N 1.35 0.643 0 C-N-CA 123.44 -1.483 . . . . 0.0 112.592 -1.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . 0.41 HG21 HD12 ' B' ' 59' ' ' ILE . 93.9 m -128.57 132.42 48.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.929 0.395 . . . . 0.0 110.751 179.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.539 ' HG ' HD11 ' B' ' 10' ' ' LEU . 24.5 tp -99.48 120.56 39.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.569 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.81 137.21 52.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.921 0.391 . . . . 0.0 111.999 -178.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -105.29 114.23 28.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.244 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 92.2 t -71.5 -44.5 70.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-O 121.017 0.437 . . . . 0.0 111.247 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.443 ' HB2' ' HA ' ' B' ' 70' ' ' PRO . 0.6 OUTLIER -153.15 158.25 32.85 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.662 -179.236 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . 0.464 ' HA ' ' HD3' ' B' ' 71' ' ' PRO . 22.0 Cg_exo -68.31 133.19 22.19 Favored 'Cis proline' 0 C--N 1.354 0.849 0 C-N-CA 124.253 -1.145 . . . . 0.0 113.079 -0.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . 0.492 ' HA ' ' C ' ' B' ' 72' ' ' PRO . 20.4 Cg_exo -68.1 163.2 36.87 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.904 2.403 . . . . 0.0 111.721 178.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' B' ' 71' ' ' PRO . 31.7 Cg_exo -61.67 150.26 57.51 Favored 'Cis proline' 0 C--N 1.356 0.929 0 C-N-CA 124.98 -0.842 . . . . 0.0 113.674 0.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 27.2 m -69.49 144.9 13.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.603 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -132.19 152.28 51.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.403 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 35.2 ptt-85 -129.75 144.02 51.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.024 0.44 . . . . 0.0 111.16 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 80.8 mt -122.32 124.81 71.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.159 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 82.3 mt -116.37 125.21 73.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 169.8 -157.76 29.53 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.327 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -84.01 103.77 13.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.753 0.311 . . . . 0.0 110.472 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -83.33 -4.1 58.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.345 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 66.1 m -89.3 -2.25 58.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.977 0.418 . . . . 0.0 110.91 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -99.87 113.59 26.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.905 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . 0.783 ' HG3' HG23 ' B' ' 27' ' ' THR . 0.9 OUTLIER -61.16 -36.92 81.09 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.668 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -59.89 -48.92 79.72 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.453 -0.499 . . . . 0.0 111.118 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -63.45 -43.27 97.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 71.2 t -61.69 -47.59 92.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.958 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.472 ' O ' ' HG2' ' B' ' 91' ' ' ARG . 62.3 tp -63.12 -46.28 88.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.821 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 77.2 mt -61.14 -47.26 94.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.408 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.25 95.82 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.983 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 6.2 mp -67.42 -35.17 78.72 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' B' ' 87' ' ' LEU . 27.5 mmt85 -62.44 -38.73 90.9 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.623 0.249 . . . . 0.0 110.661 179.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.11 -40.61 98.14 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.958 0.409 . . . . 0.0 110.229 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.626 ' O ' ' HG2' ' B' ' 96' ' ' GLU . 7.9 mp -68.45 -38.81 81.45 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.546 179.126 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.623 ' O ' HG22 ' B' ' 97' ' ' ILE . . . -62.69 -39.93 95.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.599 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -63.06 -42.27 99.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.071 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . 0.626 ' HG2' ' O ' ' B' ' 93' ' ' LEU . 11.1 pt-20 -69.65 -22.04 63.49 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.623 HG22 ' O ' ' B' ' 94' ' ' ALA . 12.3 tt -83.94 -14.47 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 O-C-N 122.097 -0.377 . . . . 0.0 110.944 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -60.79 -37.52 93.75 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 114.523 0.569 . . . . 0.0 114.523 -178.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -88.75 5.48 43.22 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 117.587 0.694 . . . . 0.0 112.314 -178.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -111.31 125.36 53.75 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 121.194 -0.202 . . . . 0.0 110.776 179.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 64.3 mttp 54.85 41.53 31.83 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.762 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -89.13 103.75 16.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.58 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -90.72 102.0 14.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.534 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -90.78 103.81 16.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.625 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -156.46 160.19 39.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.318 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.776 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.955 0.407 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . -161.42 171.86 37.51 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.138 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . 0.425 ' O ' HG12 ' A' ' 657' ' ' ILE . 89.8 mtm180 -92.45 130.0 38.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.94 0.4 . . . . 0.0 111.49 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.508 ' O ' ' HA ' ' A' ' 640' ' ' VAL . 93.8 mt -128.37 129.43 69.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.157 179.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 617' ' ' VAL . . . . . 0.499 HG22 ' HB ' ' A' ' 641' ' ' ILE . 98.9 t -109.67 126.13 66.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.178 0.513 . . . . 0.0 110.354 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.533 HD21 ' HA ' ' A' ' 626' ' ' SER . 60.3 tp -108.39 123.5 48.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.735 -179.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 619' ' ' VAL . . . . . 0.405 ' HB ' HD23 ' A' ' 661' ' ' LEU . 58.8 t -112.1 109.63 29.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.875 179.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 45.0 t -158.35 146.66 18.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.125 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -90.82 -10.25 43.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.499 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -90.86 107.99 19.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.308 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -64.57 -33.31 75.62 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -63.07 -47.57 82.36 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.729 0.3 . . . . 0.0 111.729 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . 0.404 ' O ' HG12 ' A' ' 629' ' ' ILE . 94.5 m -70.29 -42.08 72.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 626' ' ' SER . . . . . 0.533 ' HA ' HD21 ' A' ' 618' ' ' LEU . 66.1 m -62.02 -43.21 99.33 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.008 -178.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 87.4 m -64.82 -43.1 94.22 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.837 0.351 . . . . 0.0 110.325 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 64.4 tp -62.48 -48.1 81.07 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 629' ' ' ILE . . . . . 0.568 HD11 HD11 ' A' ' 708' ' ' ILE . 39.4 mm -63.53 -42.69 97.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.2 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 52.5 t -59.74 -48.59 81.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.638 -178.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 87.6 p -62.91 -36.43 83.33 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.11 -47.1 94.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-O 120.764 0.316 . . . . 0.0 111.745 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 633' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -84.78 -38.8 19.17 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 -178.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . 0.631 ' HA ' ' O ' ' A' ' 638' ' ' TYR . 93.9 m -61.75 -46.57 89.04 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 635' ' ' THR . . . . . 0.879 HG21 ' HA ' ' B' ' 4' ' ' LEU . 0.2 OUTLIER -73.63 -15.42 61.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.844 0.354 . . . . 0.0 111.732 -178.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -83.74 3.97 30.91 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.081 0.401 . . . . 0.0 112.081 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 103.08 0.9 48.21 Favored Glycine 0 C--N 1.333 0.394 0 C-N-CA 120.792 -0.718 . . . . 0.0 113.514 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 638' ' ' TYR . . . . . 0.631 ' O ' ' HA ' ' A' ' 634' ' ' THR . 86.3 m-85 -100.58 150.28 22.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.713 0.292 . . . . 0.0 110.466 179.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -101.35 110.81 22.87 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 640' ' ' VAL . . . . . 0.508 ' HA ' ' O ' ' A' ' 616' ' ' ILE . 59.6 t -101.3 129.27 52.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -178.365 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 641' ' ' ILE . . . . . 0.677 HD13 HD13 ' A' ' 654' ' ' LEU . 82.0 mt -116.15 123.23 71.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 115.342 -0.845 . . . . 0.0 108.809 177.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 642' ' ' TRP . . . . . 0.417 ' O ' ' HA ' ' B' ' 43' ' ' LYS . 12.3 t90 -94.25 115.62 27.9 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . 0.612 HD11 ' HB3' ' A' ' 650' ' ' ARG . 0.2 OUTLIER -118.49 148.53 42.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.038 -178.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 16.0 m -79.92 154.04 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.166 0.508 . . . . 0.0 111.091 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -68.63 140.79 55.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.73 -178.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 102.46 -3.6 50.44 Favored Glycine 0 C--N 1.335 0.525 0 N-CA-C 114.996 0.759 . . . . 0.0 114.996 178.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 647' ' ' GLU . . . . . 0.487 ' HB3' ' HD3' ' A' ' 650' ' ' ARG . 77.5 mm-40 -113.77 87.4 2.61 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 118.12 0.96 . . . . 0.0 112.873 -179.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 79.4 t -71.77 -41.07 70.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.156 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 49.2 mp0 -59.26 -39.17 82.03 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.697 0.284 . . . . 0.0 110.419 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . 0.612 ' HB3' HD11 ' A' ' 643' ' ' LEU . 2.2 mpt_? -63.88 -37.85 88.93 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 647' ' ' GLU . 95.3 mt -65.76 -40.35 91.97 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.22 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.524 ' HA ' HG23 ' A' ' 655' ' ' THR . 90.7 mt -64.99 -39.98 94.28 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.967 179.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -60.08 -38.85 84.11 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.258 0.552 . . . . 0.0 111.295 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . 0.677 HD13 HD13 ' A' ' 641' ' ' ILE . 80.2 mt -108.24 29.71 7.08 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.58 -179.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 655' ' ' THR . . . . . 0.524 HG23 ' HA ' ' A' ' 652' ' ' LEU . 0.0 OUTLIER -36.79 103.65 0.26 Allowed Pre-proline 0 N--CA 1.473 0.718 0 O-C-N 124.15 0.906 . . . . 0.0 113.322 -178.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 656' ' ' PRO . . . . . 0.487 ' HB3' HG23 ' A' ' 617' ' ' VAL . 41.6 Cg_endo -87.23 -178.03 2.33 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 123.583 2.855 . . . . 0.0 112.569 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 615' ' ' ARG . 50.3 pt -81.72 -26.95 9.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 177.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -148.97 147.48 28.64 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.407 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.417 HG23 HD21 ' A' ' 686' ' ' LEU . 79.9 t -117.93 127.56 75.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.677 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.756 HD23 ' HB2' ' A' ' 689' ' ' PHE . 85.3 mt -104.02 121.2 42.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.257 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . 0.405 HD23 ' HB ' ' A' ' 619' ' ' VAL . 84.3 mt -111.76 127.26 55.74 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -135.9 150.83 49.48 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.001 0.429 . . . . 0.0 111.836 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . 0.505 ' OE1' ' HA ' ' A' ' 664' ' ' PRO . 71.0 mm-40 -69.2 158.54 86.36 Favored Pre-proline 0 N--CA 1.466 0.33 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.176 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 664' ' ' PRO . . . . . 0.505 ' HA ' ' OE1' ' A' ' 663' ' ' GLU . 44.7 Cg_endo -89.98 158.7 33.59 Favored 'Cis proline' 0 C--N 1.353 0.8 0 C-N-CA 124.381 -1.091 . . . . 0.0 114.063 -0.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 665' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -116.13 86.26 2.45 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.122 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 93.7 p -99.96 -16.59 17.9 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -98.13 1.9 48.0 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 179.83 172.68 44.12 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.143 -1.027 . . . . 0.0 112.846 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 669' ' ' ASP . . . . . 0.729 ' O ' ' HG2' ' A' ' 672' ' ' GLU . 51.2 t0 -95.64 119.13 33.6 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 670' ' ' VAL . . . . . 0.4 ' HA ' HD12 ' A' ' 673' ' ' LEU . 10.6 p -60.54 -30.54 46.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.458 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -64.38 -39.91 94.79 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.766 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . 0.729 ' HG2' ' O ' ' A' ' 669' ' ' ASP . 15.4 pt-20 -71.44 -29.33 64.74 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.237 -179.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 673' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 670' ' ' VAL . 87.6 mt -63.97 -42.36 97.26 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.899 0.381 . . . . 0.0 110.828 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . 0.462 HG22 HG21 ' A' ' 688' ' ' ILE . 77.1 t -62.22 -47.16 94.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.631 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 675' ' ' ASP . . . . . 0.506 ' O ' ' HG2' ' A' ' 678' ' ' ARG . 37.8 t70 -62.26 -43.72 98.18 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.981 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -66.53 -41.53 88.58 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 86.5 mt -65.64 -39.76 91.76 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -178.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 678' ' ' ARG . . . . . 0.506 ' HG2' ' O ' ' A' ' 675' ' ' ASP . 9.2 ptm180 -66.61 -18.42 65.36 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -90.6 -5.99 55.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.62 0.248 . . . . 0.0 111.229 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -106.94 -38.25 6.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.352 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 72.3 m -127.82 149.05 50.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.812 0.339 . . . . 0.0 111.323 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 72.6 p -76.28 159.47 79.97 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.266 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -54.57 -40.24 84.77 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.691 2.26 . . . . 0.0 113.611 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 23.2 pm0 -74.48 -30.36 61.81 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.718 0.294 . . . . 0.0 111.023 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -72.56 -38.41 67.96 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.308 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 686' ' ' LEU . . . . . 0.423 HD12 ' O ' ' A' ' 656' ' ' PRO . 6.7 tt -151.5 132.63 14.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.443 -179.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -113.61 145.81 40.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.433 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 688' ' ' ILE . . . . . 0.462 HG21 HG22 ' A' ' 674' ' ' VAL . 80.9 mt -109.04 125.78 66.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.799 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 689' ' ' PHE . . . . . 0.756 ' HB2' HD23 ' A' ' 660' ' ' LEU . 99.1 m-85 -119.09 141.23 48.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.789 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 82.6 mt -119.4 128.17 75.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.022 0.439 . . . . 0.0 111.277 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 691' ' ' LEU . . . . . 0.647 HD11 ' HE1' ' A' ' 713' ' ' PHE . 6.1 mp -99.25 131.08 45.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.87 179.305 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 692' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 705' ' ' PRO . . . 118.42 -75.09 0.29 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.87 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 86.1 p -138.17 163.05 32.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.618 0.247 . . . . 0.0 110.949 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -76.79 123.13 25.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.651 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 695' ' ' GLY . . . . . 0.41 ' O ' ' HD1' ' A' ' 697' ' ' TYR . . . -72.87 -21.94 79.43 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.991 -0.624 . . . . 0.0 113.133 179.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 55.0 t30 58.55 39.52 24.73 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.217 0.532 . . . . 0.0 111.282 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 697' ' ' TYR . . . . . 0.41 ' HD1' ' O ' ' A' ' 695' ' ' GLY . 7.3 m-85 -125.4 155.55 40.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.872 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -70.58 148.65 47.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.346 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 96.01 -9.07 67.95 Favored Glycine 0 CA--C 1.517 0.186 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.772 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 700' ' ' VAL . . . . . . . . . . . . . 59.0 t -93.65 110.17 22.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -69.16 -42.88 75.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.401 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -158.9 151.42 21.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.739 0.304 . . . . 0.0 111.104 -178.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -117.94 145.86 44.39 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 178.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 704' ' ' ILE . . . . . 0.423 HG22 ' CG2' ' A' ' 708' ' ' ILE . 4.5 mp -119.31 97.2 50.3 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-O 120.522 0.201 . . . . 0.0 110.961 -179.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 705' ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' A' ' 692' ' ' GLY . 32.2 Cg_exo -61.51 144.22 97.74 Favored 'Trans proline' 0 N--CA 1.478 0.612 0 C-N-CA 123.482 2.788 . . . . 0.0 113.678 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . 0.899 HD23 HG23 ' A' ' 708' ' ' ILE . 80.8 mt -97.17 152.28 38.19 Favored Pre-proline 0 N--CA 1.466 0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.509 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 707' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -73.97 151.09 96.57 Favored 'Cis proline' 0 C--N 1.353 0.788 0 C-N-CA 123.979 -1.259 . . . . 0.0 112.721 -0.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 708' ' ' ILE . . . . . 0.899 HG23 HD23 ' A' ' 706' ' ' LEU . 39.2 pt -109.06 157.88 9.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.21 0.529 . . . . 0.0 111.93 -179.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -111.68 146.05 33.92 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 177.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -52.55 -50.95 12.28 Favored 'Trans proline' 0 N--CA 1.476 0.463 0 C-N-CA 122.42 2.08 . . . . 0.0 113.75 -178.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 711' ' ' GLU . . . . . 0.441 ' HG2' ' NE2' ' A' ' 715' ' ' GLN . 88.3 tt0 -66.28 -40.9 90.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.96 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 69.0 m -63.8 -46.59 84.51 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.574 -179.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 713' ' ' PHE . . . . . 0.647 ' HE1' HD11 ' A' ' 691' ' ' LEU . 87.6 t80 -60.29 -49.33 78.02 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.195 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 63.3 tp -60.98 -45.15 95.95 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -178.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 715' ' ' GLN . . . . . 0.441 ' NE2' ' HG2' ' A' ' 711' ' ' GLU . 42.3 mt-30 -64.28 -41.8 96.72 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.32 -179.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -65.7 -42.05 91.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.661 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 717' ' ' VAL . . . . . . . . . . . . . 53.6 t -65.01 -44.06 96.02 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.578 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 90.6 m -60.08 -44.32 94.84 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.835 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 17.7 tmm? -60.23 -45.83 91.88 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.68 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -63.76 -38.82 96.74 Favored Glycine 0 CA--C 1.523 0.556 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.629 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 7.3 mp -75.47 -0.3 19.67 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -178.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 62.7 p -64.89 -24.44 67.53 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.226 0.466 . . . . 0.0 111.795 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 62.3 m -91.99 2.77 56.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 0.0 110.932 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 724' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 724' ' ' LEU . 0.3 OUTLIER -99.37 171.37 8.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.248 -179.504 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -103.51 150.13 24.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.698 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 67.7 p -116.3 161.06 19.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.804 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 58.1 m -87.88 -7.69 56.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.385 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -149.7 154.27 38.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.481 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.533 -0.746 . . . . 0.0 111.343 179.965 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 121.098 0.475 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.83 149.6 73.38 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.541 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -56.96 -39.06 94.21 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.791 2.327 . . . . 0.0 112.596 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.879 ' HA ' HG21 ' A' ' 635' ' ' THR . 24.3 mt -137.46 156.26 48.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.381 179.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 72.13 -170.87 0.14 Allowed 'General case' 0 N--CA 1.47 0.526 0 O-C-N 123.946 0.779 . . . . 0.0 110.776 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.11 42.32 22.52 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.574 179.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 71.2 p -80.7 158.35 25.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.734 0.302 . . . . 0.0 110.806 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -101.9 145.58 29.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.286 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 60.6 t -113.82 119.54 61.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.02 0.438 . . . . 0.0 111.209 -179.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.583 HD11 ' HB2' ' B' ' 65' ' ' LEU . 62.2 tp -109.43 125.58 52.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.596 179.164 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.485 ' O ' ' HA ' ' B' ' 65' ' ' LEU . 99.3 mttt -101.92 144.74 30.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.002 0.43 . . . . 0.0 111.155 -179.174 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.88 119.56 25.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.069 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' TYR . . . . . 0.524 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 95.9 m-85 -100.84 131.5 46.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.007 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.496 HG12 ' HB3' ' B' ' 63' ' ' PRO . 15.4 m -132.13 162.58 39.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -131.52 95.92 3.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.724 -178.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.44 154.29 30.84 Favored Glycine 0 N--CA 1.453 -0.186 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.914 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -89.17 76.48 7.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.217 0.532 . . . . 0.0 110.642 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 71.9 p -105.97 154.56 39.4 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.059 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -53.93 -39.88 83.05 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.844 2.363 . . . . 0.0 113.793 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -67.63 -35.48 79.0 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.656 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 67.4 m -71.87 -40.8 68.69 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.224 0.535 . . . . 0.0 109.937 178.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.53 -46.68 91.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.326 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -70.48 -27.6 64.34 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.999 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.97 -44.55 94.38 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.51 0.195 . . . . 0.0 110.99 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.637 ' HB3' HD21 ' A' ' 654' ' ' LEU . 72.7 mt -64.75 -41.42 95.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.093 178.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.98 -41.73 97.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 85.5 m -69.22 -44.54 71.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.809 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 tt -65.93 -41.66 91.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.789 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.04 -40.27 92.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.266 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -61.43 -45.22 95.23 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.791 0.329 . . . . 0.0 110.901 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.507 ' CD1' HG13 ' B' ' 86' ' ' VAL . 95.3 mt -67.01 -43.2 89.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-O 121.354 0.597 . . . . 0.0 110.321 179.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.654 HD12 ' HB2' ' B' ' 36' ' ' PHE . 62.4 tp -63.14 -45.77 90.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.799 -178.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.402 ' O ' ' HB3' ' B' ' 37' ' ' LYS . 23.0 pt-20 -71.04 -14.94 62.5 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -179.101 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.71 -56.1 2.69 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -178.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -94.91 -25.36 16.59 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -177.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . 0.654 ' HB2' HD12 ' B' ' 32' ' ' LEU . 96.2 m-85 -117.89 30.28 7.35 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -178.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.402 ' HB3' ' O ' ' B' ' 33' ' ' GLU . 8.5 ptmm? -68.83 122.24 18.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.063 0.459 . . . . 0.0 112.079 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.512 ' HA2' ' O ' ' A' ' 634' ' ' THR . . . 91.38 -11.89 70.84 Favored Glycine 0 CA--C 1.521 0.428 0 CA-C-N 115.852 -0.613 . . . . 0.0 114.447 178.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.666 HG13 ' HD1' ' B' ' 40' ' ' TYR . 10.0 p -108.27 -31.55 2.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 117.615 0.707 . . . . 0.0 112.288 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . 0.666 ' HD1' HG13 ' B' ' 39' ' ' VAL . 26.4 m-85 -123.74 140.42 53.0 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.67 153.9 28.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.213 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.413 ' HB3' HG12 ' A' ' 641' ' ' ILE . 65.2 tp -113.16 136.09 53.11 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -178.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 642' ' ' TRP . 1.0 OUTLIER -123.05 131.75 53.83 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 178.661 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 61.0 t -112.98 122.02 66.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -178.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 82.3 mt -123.24 130.97 74.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.4 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -98.27 112.36 24.38 Favored 'General case' 0 N--CA 1.463 0.176 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 34.6 m -66.25 -30.4 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -177.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.58 -38.41 84.02 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 29.6 tptp -69.75 -39.77 76.55 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.804 0.335 . . . . 0.0 111.009 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.485 ' OD1' ' HG3' ' B' ' 52' ' ' GLN . 41.3 t-20 -133.46 84.92 44.78 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.85 -19.07 64.06 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 123.207 2.604 . . . . 0.0 113.77 -178.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.485 ' HG3' ' OD1' ' B' ' 50' ' ' ASN . 4.5 mt-30 -64.8 -36.87 85.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.095 0.474 . . . . 0.0 110.036 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 86.3 mt -64.78 -41.19 96.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.984 -179.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.06 -40.49 96.38 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.663 179.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.17 -37.4 85.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.134 179.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -70.07 -38.73 75.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.086 -178.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -98.61 7.84 45.63 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt 55.8 50.6 13.81 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 37.2 mm -87.53 105.56 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.762 0.315 . . . . 0.0 110.178 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 90.0 mt -105.37 -5.77 20.16 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -148.04 145.21 28.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.775 0.321 . . . . 0.0 111.612 -179.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 66.3 p -142.3 150.28 54.56 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.397 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . 0.524 ' HA ' ' O ' ' B' ' 13' ' ' TYR . 94.7 Cg_endo -77.69 154.61 95.0 Favored 'Cis proline' 0 C--N 1.347 0.475 0 C-N-CA 123.595 -1.419 . . . . 0.0 112.803 -1.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 15.0 t -149.02 148.9 30.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.284 178.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.641 HD11 HD12 ' B' ' 76' ' ' ILE . 0.5 OUTLIER -109.87 132.38 54.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.091 0.472 . . . . 0.0 110.248 179.365 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.59 137.57 54.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.142 -178.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -100.43 120.71 40.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.386 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.534 HG12 ' HG ' ' B' ' 69' ' ' LEU . 48.5 t -110.02 -59.19 3.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.361 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.534 ' HG ' HG12 ' B' ' 68' ' ' VAL . 90.2 mt -130.23 137.79 31.63 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.288 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' B' ' 71' ' ' PRO . 96.1 Cg_endo -81.25 156.63 82.91 Favored 'Cis proline' 0 CA--C 1.534 0.484 0 C-N-CA 123.398 -1.501 . . . . 0.0 112.055 -1.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' B' ' 70' ' ' PRO . 23.5 Cg_exo -65.6 165.25 23.54 Favored 'Trans proline' 0 N--CA 1.476 0.479 0 C-N-CA 123.04 2.493 . . . . 0.0 112.191 178.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.33 160.26 96.51 Favored 'Cis proline' 0 C--N 1.354 0.83 0 C-N-CA 124.412 -1.078 . . . . 0.0 114.266 1.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 29.4 m -79.36 150.99 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.913 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.17 145.62 18.16 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.86 -179.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -128.8 139.77 52.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 0.0 111.392 179.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . 0.641 HD12 HD11 ' B' ' 65' ' ' LEU . 86.3 mt -122.45 125.44 72.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.111 178.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 81.9 mt -116.28 126.12 73.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . -179.96 -173.92 45.37 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.245 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -85.54 107.07 17.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.769 0.319 . . . . 0.0 110.391 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 94.0 mt -83.12 -9.15 59.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.607 -179.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 66.4 m -64.39 -33.08 75.03 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.969 0.414 . . . . 0.0 110.745 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.403 ' O ' HG12 ' B' ' 86' ' ' VAL . 56.2 t-20 -86.71 113.2 22.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.022 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . 0.49 ' HA ' HG12 ' B' ' 86' ' ' VAL . 61.6 ttp180 -59.85 -37.04 78.15 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.477 -179.27 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.23 -46.63 87.97 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 111.579 0.215 . . . . 0.0 111.579 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -71.89 -44.24 64.05 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.507 HG13 ' CD1' ' B' ' 31' ' ' ILE . 7.2 p -64.2 -32.57 57.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.332 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.401 ' HA ' HD13 ' B' ' 31' ' ' ILE . 65.4 tp -62.17 -45.8 91.8 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 177.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 86.5 mt -62.91 -47.04 94.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.529 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . 0.415 ' O ' ' HG ' ' B' ' 92' ' ' LEU . . . -62.38 -41.62 98.79 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -179.001 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 5.2 mp -76.41 -34.86 58.82 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 49.2 tpt85 -61.68 -40.82 96.32 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -178.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' B' ' 89' ' ' ALA . 3.1 pp -64.54 -17.86 64.31 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.22 -36.06 82.41 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.627 0.251 . . . . 0.0 110.883 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.496 ' HB2' ' CE2' ' B' ' 36' ' ' PHE . . . -60.02 -41.14 91.54 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.622 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -64.95 -41.55 95.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.566 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . 0.555 ' HA ' ' O ' ' B' ' 100' ' ' TYR . 99.4 mt-10 -64.51 -40.24 95.28 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.6 -179.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 10.5 tp -79.53 -35.24 16.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.241 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -65.2 -38.46 95.22 Favored Glycine 0 C--N 1.335 0.524 0 C-N-CA 121.324 -0.465 . . . . 0.0 112.2 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -125.09 -79.54 0.61 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.617 0.246 . . . . 0.0 110.339 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' TYR . . . . . 0.555 ' O ' ' HA ' ' B' ' 96' ' ' GLU . 1.7 t80 -174.91 -167.71 0.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.718 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -135.72 159.01 42.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.5 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 31.3 t0 56.87 47.32 18.08 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 123.562 0.539 . . . . 0.0 111.361 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.63 -40.39 96.75 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.331 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 4.4 t0 69.83 -177.22 0.21 Allowed 'General case' 0 N--CA 1.47 0.532 0 O-C-N 123.784 0.677 . . . . 0.0 111.282 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -89.17 102.5 15.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.568 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.119 -0.943 . . . . 0.0 110.738 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 120.977 0.418 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . -128.17 34.02 3.04 Favored Glycine 0 N--CA 1.454 -0.152 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.619 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . 0.53 ' HA ' ' O ' ' A' ' 639' ' ' GLN . 89.8 mtm180 -88.53 128.15 35.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 111.54 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.532 ' HB ' HG22 ' A' ' 640' ' ' VAL . 87.5 mt -127.56 131.76 69.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.595 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 617' ' ' VAL . . . . . 0.565 HG23 ' HB3' ' A' ' 656' ' ' PRO . 84.7 t -121.73 129.51 75.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-O 121.194 0.521 . . . . 0.0 111.753 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 660' ' ' LEU . 53.5 tp -106.68 126.09 51.84 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.627 178.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -107.25 108.91 26.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.364 0.602 . . . . 0.0 111.484 -179.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 8.6 t -166.3 179.87 5.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.186 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 621' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -120.59 1.22 10.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.779 0.323 . . . . 0.0 110.735 178.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -87.27 110.14 19.99 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.023 0.439 . . . . 0.0 110.968 -179.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 50.8 mp0 -63.31 -35.95 82.08 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.439 -179.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -59.72 -41.56 91.14 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.882 0.326 . . . . 0.0 111.882 -178.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -73.96 -38.72 64.13 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.59 0.219 . . . . 0.0 111.59 179.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 626' ' ' SER . . . . . 0.417 ' HB3' ' CZ3' ' A' ' 642' ' ' TRP . 89.5 p -62.5 -39.83 94.78 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -178.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 86.2 m -66.79 -44.29 81.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.826 0.346 . . . . 0.0 111.117 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 5.2 mp -72.64 -50.83 22.54 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 629' ' ' ILE . . . . . . . . . . . . . 36.9 mm -61.19 -46.16 97.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -177.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 630' ' ' CYS . . . . . 0.446 ' SG ' ' HB1' ' B' ' 41' ' ' ALA . 18.3 t -65.31 -44.72 86.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.661 -179.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . 0.503 ' O ' HG22 ' A' ' 635' ' ' THR . 69.5 m -62.7 -42.35 99.6 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 121.131 -0.228 . . . . 0.0 111.357 -179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 86.9 mt -61.63 -47.32 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 O-C-N 123.225 0.328 . . . . 0.0 111.816 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 633' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.64 -39.52 62.04 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -179.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . 0.664 ' HB ' HG21 ' B' ' 7' ' ' THR . 89.2 m -64.3 -44.25 92.22 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 635' ' ' THR . . . . . 0.503 HG22 ' O ' ' A' ' 631' ' ' SER . 13.2 t -69.7 -13.34 62.25 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.798 0.332 . . . . 0.0 111.577 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -85.16 -2.03 57.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.176 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 104.62 5.98 41.49 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.957 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 638' ' ' TYR . . . . . 0.606 ' O ' ' HA ' ' A' ' 634' ' ' THR . 96.3 m-85 -100.6 151.76 21.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.759 0.314 . . . . 0.0 110.672 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 639' ' ' GLN . . . . . 0.53 ' O ' ' HA ' ' A' ' 615' ' ' ARG . 0.0 OUTLIER -102.64 108.76 20.14 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.238 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 640' ' ' VAL . . . . . 0.532 HG22 ' HB ' ' A' ' 616' ' ' ILE . 59.8 t -109.39 128.69 65.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.168 0.509 . . . . 0.0 112.108 -178.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 641' ' ' ILE . . . . . 0.664 HG21 HD13 ' A' ' 654' ' ' LEU . 86.6 mt -115.61 129.36 72.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 642' ' ' TRP . . . . . 0.417 ' CZ3' ' HB3' ' A' ' 626' ' ' SER . 68.6 t-105 -91.44 114.68 27.28 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.01 0.433 . . . . 0.0 110.996 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . 0.604 HD21 HD12 ' A' ' 654' ' ' LEU . 85.5 mt -114.04 140.56 48.35 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.803 178.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 644' ' ' VAL . . . . . . . . . . . . . 8.1 m -74.68 137.6 22.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -64.31 155.78 31.11 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -177.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 103.25 -14.75 54.9 Favored Glycine 0 C--N 1.334 0.441 0 CA-C-N 115.378 -0.828 . . . . 0.0 114.024 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 647' ' ' GLU . . . . . 0.474 ' HB3' ' HE ' ' A' ' 650' ' ' ARG . 78.9 mm-40 -114.59 101.18 8.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 117.908 0.854 . . . . 0.0 112.735 -179.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 86.6 t -71.31 -40.39 73.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.592 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.79 -38.01 80.72 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . 0.474 ' HE ' ' HB3' ' A' ' 647' ' ' GLU . 0.1 OUTLIER -63.2 -37.29 86.66 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 177.434 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 96.3 mt -65.45 -39.74 92.41 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.688 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.554 ' HA ' HG23 ' A' ' 655' ' ' THR . 3.2 mm? -67.94 -37.05 81.14 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.695 179.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . 0.431 ' HB2' HG13 ' B' ' 22' ' ' VAL . . . -59.0 -40.52 85.13 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.251 0.548 . . . . 0.0 111.077 179.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . 0.664 HD13 HG21 ' A' ' 641' ' ' ILE . 86.8 mt -109.95 29.75 7.34 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.657 -179.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 655' ' ' THR . . . . . 0.554 HG23 ' HA ' ' A' ' 652' ' ' LEU . 0.3 OUTLIER -29.69 103.14 0.18 Allowed Pre-proline 0 N--CA 1.479 1.005 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -178.649 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 656' ' ' PRO . . . . . 0.565 ' HB3' HG23 ' A' ' 617' ' ' VAL . 57.7 Cg_endo -84.52 171.12 10.04 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.455 2.77 . . . . 0.0 112.449 179.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.434 ' O ' HD21 ' A' ' 724' ' ' LEU . 48.5 pt -80.3 -25.31 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.438 0.637 . . . . 0.0 109.624 178.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -149.64 150.03 31.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.283 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.663 HG13 HD11 ' A' ' 686' ' ' LEU . 16.6 m -119.09 143.07 31.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.013 0.435 . . . . 0.0 110.808 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.671 HD23 ' HB2' ' A' ' 689' ' ' PHE . 79.3 mt -117.5 125.54 51.05 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.288 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 1.3 mp -115.73 124.9 51.99 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -105.06 128.39 53.31 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -90.89 155.54 45.13 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.101 178.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 664' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -75.87 158.23 98.11 Favored 'Cis proline' 0 C--N 1.351 0.658 0 C-N-CA 124.204 -1.165 . . . . 0.0 113.188 -0.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 665' ' ' PHE . . . . . 0.505 ' HB3' HG13 ' A' ' 670' ' ' VAL . 2.8 p90 -95.8 79.97 3.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.975 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 666' ' ' SER . . . . . . . . . . . . . 79.1 p -65.01 -36.63 85.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.471 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -126.12 115.59 20.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.108 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 90.6 148.4 20.65 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 121.025 -0.607 . . . . 0.0 111.949 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 669' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -96.86 119.2 34.89 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.414 -0.462 . . . . 0.0 110.294 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 670' ' ' VAL . . . . . 0.505 HG13 ' HB3' ' A' ' 665' ' ' PHE . 33.7 m -63.09 -33.99 64.05 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 C-N-CA 121.071 -0.251 . . . . 0.0 110.764 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -64.8 -39.42 93.56 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -62.32 -45.42 93.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.213 178.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.6 -41.41 98.33 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.914 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . 0.741 HG13 HD13 ' A' ' 688' ' ' ILE . 54.2 t -61.17 -47.82 91.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.846 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -63.13 -43.61 97.91 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.593 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -64.6 -40.28 95.22 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.322 -0.399 . . . . 0.0 112.019 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 86.1 mt -63.98 -38.8 92.4 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.832 -0.167 . . . . 0.0 111.143 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -61.78 -38.21 87.2 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.893 0.377 . . . . 0.0 111.195 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -65.53 -37.26 86.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.858 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -88.01 -40.04 14.19 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -177.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 74.7 m -126.37 143.88 51.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.902 0.382 . . . . 0.0 112.018 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 69.5 p -76.61 155.73 83.32 Favored Pre-proline 0 CA--C 1.535 0.404 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.557 179.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.98 -27.42 84.75 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 122.501 2.134 . . . . 0.0 113.508 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -74.15 -18.57 60.76 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.789 0.328 . . . . 0.0 110.733 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -101.5 -35.58 9.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.284 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 686' ' ' LEU . . . . . 0.663 HD11 HG13 ' A' ' 659' ' ' VAL . 57.3 tp -135.81 127.56 29.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.957 0.408 . . . . 0.0 111.342 -179.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -107.75 149.09 28.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.453 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 688' ' ' ILE . . . . . 0.741 HD13 HG13 ' A' ' 674' ' ' VAL . 72.5 mt -112.74 128.98 69.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.015 -177.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 689' ' ' PHE . . . . . 0.671 ' HB2' HD23 ' A' ' 660' ' ' LEU . 94.9 m-85 -127.56 143.38 51.18 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.928 178.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 690' ' ' ILE . . . . . 0.478 HD12 HG21 ' A' ' 700' ' ' VAL . 95.0 mt -121.5 130.98 74.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-O 121.082 0.467 . . . . 0.0 112.077 -179.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 691' ' ' LEU . . . . . 0.573 HD11 ' HE1' ' A' ' 713' ' ' PHE . 3.3 mp -102.47 127.8 49.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.66 178.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . 134.24 -65.89 0.57 Allowed Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.521 -0.847 . . . . 0.0 113.023 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 5.4 t -137.12 -169.2 2.44 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -145.09 149.14 34.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.072 0.463 . . . . 0.0 111.959 -179.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . 81.13 -0.07 88.06 Favored Glycine 0 C--N 1.333 0.411 0 CA-C-N 115.543 -0.753 . . . . 0.0 114.161 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -63.31 -52.09 63.36 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 117.367 0.583 . . . . 0.0 111.777 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -129.82 143.22 50.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.117 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -82.05 158.58 23.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.786 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 97.97 9.46 54.06 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.557 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 700' ' ' VAL . . . . . 0.478 HG21 HD12 ' A' ' 690' ' ' ILE . 58.2 t -104.52 123.98 58.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.27 -45.38 88.31 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -147.98 141.39 25.3 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.66 0.266 . . . . 0.0 110.724 -179.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 703' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -107.33 138.87 42.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.024 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 704' ' ' ILE . . . . . 0.479 ' HB ' ' HG ' ' A' ' 691' ' ' LEU . 1.4 mm -112.76 98.7 45.69 Favored Pre-proline 0 C--N 1.331 -0.218 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 705' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -71.34 148.17 54.44 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.364 2.043 . . . . 0.0 113.039 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . 0.803 HD23 HG23 ' A' ' 708' ' ' ILE . 88.0 mt -98.95 149.74 36.03 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.952 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 707' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.95 154.73 99.76 Favored 'Cis proline' 0 C--N 1.352 0.718 0 C-N-CA 123.77 -1.346 . . . . 0.0 112.682 -0.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 708' ' ' ILE . . . . . 0.803 HG23 HD23 ' A' ' 706' ' ' LEU . 41.6 pt -107.59 155.05 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.252 0.549 . . . . 0.0 111.616 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -111.42 148.0 37.87 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 178.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -52.35 -51.02 12.07 Favored 'Trans proline' 0 N--CA 1.475 0.425 0 C-N-CA 122.374 2.049 . . . . 0.0 113.461 -178.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -67.05 -40.13 87.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.277 179.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 68.6 m -62.85 -47.2 84.41 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.091 -179.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 713' ' ' PHE . . . . . 0.573 ' HE1' HD11 ' A' ' 691' ' ' LEU . 82.2 t80 -60.51 -49.08 78.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.799 179.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 2.9 tt -60.72 -44.26 96.84 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.088 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -63.62 -42.85 98.16 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 121.103 -0.239 . . . . 0.0 111.357 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -65.56 -41.49 92.91 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.734 -0.212 . . . . 0.0 111.192 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 717' ' ' VAL . . . . . 0.671 ' O ' ' HG ' ' A' ' 721' ' ' LEU . 61.8 t -65.58 -46.23 90.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.82 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 91.4 m -60.83 -46.22 91.38 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.53 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 63.5 mtt -63.24 -39.07 93.58 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.829 179.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -71.53 -16.0 75.59 Favored Glycine 0 CA--C 1.522 0.511 0 C-N-CA 120.952 -0.642 . . . . 0.0 113.14 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 721' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' A' ' 717' ' ' VAL . 97.3 mt -92.0 -1.22 57.36 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 722' ' ' THR . . . . . 0.421 ' C ' ' H ' ' A' ' 724' ' ' LEU . 73.5 p -68.61 151.71 46.36 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.489 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 33.8 m 71.77 -36.95 0.38 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.275 0.63 . . . . 0.0 111.462 -178.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 724' ' ' LEU . . . . . 0.434 HD21 ' O ' ' A' ' 657' ' ' ILE . 64.3 tp -62.16 -49.2 76.77 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 123.002 0.521 . . . . 0.0 111.284 179.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -164.17 171.27 15.25 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.412 -179.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 76.1 p -76.85 160.44 29.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.538 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 80.4 p -139.24 155.89 47.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.727 0.298 . . . . 0.0 111.198 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -63.57 -40.02 95.9 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.665 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.38 -0.819 . . . . 0.0 110.721 -179.812 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 120.949 0.404 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.58 116.5 66.32 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -56.61 -39.2 93.01 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.947 2.431 . . . . 0.0 113.11 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 59.2 tp -129.9 117.77 20.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.349 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.69 38.63 0.48 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.626 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -84.48 82.66 8.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.014 0.435 . . . . 0.0 111.822 -178.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.664 HG21 ' HB ' ' A' ' 634' ' ' THR . 81.1 p -129.61 155.11 46.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.353 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.555 ' HB3' ' HB3' ' B' ' 40' ' ' TYR . . . -99.91 145.9 27.28 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 64.6 t -109.78 117.5 54.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.292 0.567 . . . . 0.0 112.204 -178.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.626 ' HG ' HD21 ' B' ' 65' ' ' LEU . 7.9 mp -99.98 115.6 30.08 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.455 178.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.513 ' HB2' ' HB3' ' B' ' 66' ' ' ALA . 57.8 mtpt -102.35 109.22 20.82 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.943 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.459 HD23 HG13 ' B' ' 14' ' ' VAL . 0.3 OUTLIER -96.99 115.71 27.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.055 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' TYR . . . . . 0.435 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 42.0 m-85 -95.85 130.59 42.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.974 179.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.459 HG13 HD23 ' B' ' 12' ' ' LEU . 27.8 m -131.83 164.3 35.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.052 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.33 108.9 11.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.082 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.47 176.62 43.12 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.066 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -111.7 29.51 7.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.863 0.363 . . . . 0.0 110.659 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 61.0 p -70.1 157.06 90.74 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.562 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -55.18 -34.58 88.35 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.161 2.574 . . . . 0.0 113.344 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -60.41 -44.63 95.53 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.816 0.341 . . . . 0.0 110.783 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 73.3 m -68.16 -39.23 82.67 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.593 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.431 HG13 ' HB2' ' A' ' 653' ' ' ALA . 70.0 t -65.94 -45.85 89.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.322 -179.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' B' ' 23' ' ' ARG . 17.6 ttm105 -62.78 -39.24 93.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.965 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.65 -40.56 88.1 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.948 -179.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.637 ' HB3' HD21 ' A' ' 654' ' ' LEU . 85.2 mt -62.2 -41.6 98.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.208 178.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.49 -40.17 96.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.758 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 92.6 m -63.0 -47.49 82.9 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.314 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.409 ' HG ' HG11 ' B' ' 86' ' ' VAL . 1.5 mp -70.84 -39.67 72.85 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.668 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.93 -41.21 95.79 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.282 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -61.16 -43.07 99.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.849 0.356 . . . . 0.0 111.036 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.65 HD11 ' HG3' ' B' ' 83' ' ' ARG . 96.2 mt -69.91 -41.76 79.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.84 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.432 HD12 HD21 ' B' ' 90' ' ' LEU . 0.2 OUTLIER -68.73 -41.1 79.45 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.851 -179.357 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.95 -22.03 62.27 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -98.56 -59.95 1.64 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -178.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -90.44 -24.59 20.69 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -176.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -120.11 29.91 7.27 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -177.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -68.37 125.88 27.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.756 0.312 . . . . 0.0 110.671 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 634' ' ' THR . . . 78.77 16.67 78.73 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.954 -0.641 . . . . 0.0 113.354 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 42.7 t -107.75 -50.29 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.869 0.335 . . . . 0.0 111.035 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . 0.555 ' HB3' ' HB3' ' B' ' 8' ' ' ALA . 27.2 p90 -149.98 165.48 32.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.204 0.526 . . . . 0.0 111.802 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.446 ' HB1' ' SG ' ' A' ' 630' ' ' CYS . . . -111.64 157.64 20.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.194 -177.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 tt -126.91 130.94 51.11 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.998 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -114.34 145.79 41.34 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 58.4 t -118.53 125.01 74.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.755 0.312 . . . . 0.0 111.454 -179.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 2.3 mp -123.7 134.27 66.88 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-O 121.024 0.44 . . . . 0.0 111.365 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -97.71 113.42 25.18 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.389 178.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.541 HG12 ' HB2' ' B' ' 54' ' ' ALA . 35.1 m -61.91 -29.19 45.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -178.003 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 91.4 mt -66.53 -39.5 88.65 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -70.43 -38.91 74.63 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.514 ' OD1' ' HG2' ' B' ' 52' ' ' GLN . 11.1 t-20 -144.23 86.4 8.32 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-O 120.687 0.28 . . . . 0.0 110.706 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -56.39 -32.78 89.95 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.627 2.885 . . . . 0.0 114.006 -179.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.514 ' HG2' ' OD1' ' B' ' 50' ' ' ASN . 26.3 pt20 -63.71 -26.01 68.46 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -178.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.77 -41.74 95.64 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.934 0.397 . . . . 0.0 110.229 179.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . 0.541 ' HB2' HG12 ' B' ' 47' ' ' VAL . . . -68.18 -38.9 82.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.457 178.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.2 -37.13 84.13 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.435 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -64.23 -39.25 93.57 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.497 -178.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -99.41 8.36 44.68 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 58.43 47.92 12.97 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.431 0.457 . . . . 0.0 112.152 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.502 ' HB ' ' HB1' ' B' ' 54' ' ' ALA . 45.8 mm -87.61 112.51 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.911 0.386 . . . . 0.0 110.597 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 89.7 mt -113.2 9.91 18.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.55 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -146.09 164.27 32.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.645 0.26 . . . . 0.0 111.156 -179.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -159.72 137.71 7.37 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.291 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . 0.435 ' HA ' ' O ' ' B' ' 13' ' ' TYR . 73.8 Cg_endo -74.78 145.6 84.39 Favored 'Cis proline' 0 C--N 1.351 0.685 0 C-N-CA 123.247 -1.564 . . . . 0.0 112.965 -1.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 93.4 m -134.99 136.82 42.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.052 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.626 HD21 ' HG ' ' B' ' 10' ' ' LEU . 5.8 tt -99.75 120.93 40.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.916 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . 0.513 ' HB3' ' HB2' ' B' ' 11' ' ' LYS . . . -109.17 131.47 55.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.531 -179.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -99.79 123.94 44.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.268 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 22.6 t -97.74 -56.21 5.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.782 0.325 . . . . 0.0 111.251 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.474 ' HA ' ' C ' ' B' ' 70' ' ' PRO . 2.7 pt? -158.92 159.48 29.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.344 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . 0.474 ' C ' ' HA ' ' B' ' 69' ' ' LEU . 32.0 Cg_exo -62.72 142.64 42.27 Favored 'Cis proline' 0 C--N 1.354 0.842 0 C-N-CA 124.397 -1.085 . . . . 0.0 113.061 -1.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' B' ' 70' ' ' PRO . 24.1 Cg_exo -65.28 165.12 23.17 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.06 2.506 . . . . 0.0 111.995 178.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -72.31 162.2 90.78 Favored 'Cis proline' 0 C--N 1.354 0.858 0 C-N-CA 124.57 -1.012 . . . . 0.0 114.394 1.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 33.6 m -88.56 149.14 4.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.202 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.643 HH21 HD23 ' B' ' 93' ' ' LEU . 40.9 ptt180 -159.03 162.67 36.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.545 179.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 95.8 mtm-85 -124.73 142.05 51.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.775 0.321 . . . . 0.0 110.848 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . 0.502 HD12 HD22 ' B' ' 65' ' ' LEU . 80.5 mt -116.11 120.53 65.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.187 179.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 82.5 mt -119.85 126.2 75.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.13 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 175.45 -170.67 43.73 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.297 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -84.41 106.61 16.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.726 0.298 . . . . 0.0 110.512 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 96.8 mt -85.0 -5.86 59.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.493 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 71.1 m -65.87 -32.44 73.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.812 178.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -84.62 110.8 19.0 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.434 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . 0.65 ' HG3' HD11 ' B' ' 31' ' ' ILE . 61.8 ttp180 -60.48 -37.93 82.63 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.648 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -58.85 -46.69 87.13 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 120.708 0.29 . . . . 0.0 110.947 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -66.95 -41.03 87.64 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.63 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.409 HG11 ' HG ' ' B' ' 28' ' ' LEU . 76.4 t -60.17 -42.74 91.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.556 -179.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . 0.498 ' O ' ' HG2' ' B' ' 91' ' ' ARG . 62.8 tp -59.99 -42.79 94.96 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 86.2 mt -60.72 -48.03 90.5 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.241 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.39 -40.45 95.82 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.741 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.432 HD21 HD12 ' B' ' 32' ' ' LEU . 5.2 mp -67.45 -33.18 74.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.044 -179.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' B' ' 87' ' ' LEU . 40.1 mmt180 -62.24 -37.63 86.15 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.785 0.326 . . . . 0.0 110.397 178.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.47 -39.63 94.04 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.038 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.643 HD23 HH21 ' B' ' 74' ' ' ARG . 84.7 mt -64.98 -40.52 95.1 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.162 178.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.43 ' HA ' HG22 ' B' ' 97' ' ' ILE . . . -63.21 -37.61 87.9 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.391 179.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.08 -42.45 94.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.59 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -65.02 -44.32 89.57 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.607 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.43 HG22 ' HA ' ' B' ' 94' ' ' ALA . 10.5 tp -70.89 -28.83 34.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 120.781 0.324 . . . . 0.0 111.646 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.41 -8.89 87.4 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.81 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 30.6 t0 57.26 45.64 19.98 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.106 0.479 . . . . 0.0 111.174 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -128.71 130.41 47.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.306 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 38.1 mtmm -101.39 131.0 47.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.581 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . 0.528 ' OD2' ' HB2' ' B' ' 104' ' ' ASP . 36.1 t70 -63.68 -40.44 96.82 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.27 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 31.2 t0 58.11 50.87 9.36 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.717 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . 0.528 ' HB2' ' OD2' ' B' ' 102' ' ' ASP . 44.3 t0 -87.32 104.26 16.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.492 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -156.84 159.96 38.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.277 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 12.2 tptp . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.635 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.933 0.397 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 614' ' ' GLY . . . . . . . . . . . . . . . -167.35 169.96 41.33 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.499 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 615' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -83.08 135.11 34.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.167 0.508 . . . . 0.0 111.794 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 616' ' ' ILE . . . . . 0.778 ' HB ' HG22 ' A' ' 640' ' ' VAL . 24.8 mm -124.03 128.12 73.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.921 179.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 617' ' ' VAL . . . . . 0.447 ' HB ' ' HG3' ' A' ' 656' ' ' PRO . 69.0 t -118.05 124.9 73.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.152 0.501 . . . . 0.0 111.205 178.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 63.7 tp -104.11 120.53 41.29 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 619' ' ' VAL . . . . . 0.685 HG12 ' HB3' ' A' ' 645' ' ' ASP . 2.0 t -113.35 98.17 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.961 0.41 . . . . 0.0 110.489 -179.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 620' ' ' SER . . . . . . . . . . . . . 37.2 t -158.32 144.8 17.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.463 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 621' ' ' GLU . . . . . 0.473 ' HG2' ' OD1' ' A' ' 645' ' ' ASP . 70.4 mm-40 -73.88 -19.59 60.67 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 120.842 0.353 . . . . 0.0 111.01 179.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -79.88 110.55 15.35 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.293 -0.412 . . . . 0.0 112.042 -177.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 623' ' ' GLU . . . . . . . . . . . . . 50.6 mp0 -70.16 -23.04 62.92 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.376 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 624' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.42 96.94 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.674 0.273 . . . . 0.0 111.406 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 625' ' ' THR . . . . . 0.543 ' O ' ' HB ' ' A' ' 629' ' ' ILE . 0.8 OUTLIER -75.3 -23.86 57.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.107 178.653 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 626' ' ' SER . . . . . . . . . . . . . 49.4 m -62.06 -48.82 78.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.494 -178.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 627' ' ' THR . . . . . . . . . . . . . 85.4 m -69.97 -44.19 69.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.936 0.398 . . . . 0.0 111.507 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 66.0 tp -65.17 -47.46 76.91 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -178.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 629' ' ' ILE . . . . . 0.577 HD11 HD11 ' A' ' 708' ' ' ILE . 0.6 OUTLIER -73.87 -41.45 53.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -177.479 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 630' ' ' CYS . . . . . . . . . . . . . 91.0 m -62.73 -42.18 99.53 Favored 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.335 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 631' ' ' SER . . . . . . . . . . . . . 61.5 m -63.62 -42.86 98.16 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.629 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 632' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.44 -50.52 79.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 633' ' ' LEU . . . . . 0.732 HD13 HG21 ' A' ' 616' ' ' ILE . 78.2 mt -72.81 -40.16 66.05 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -179.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 634' ' ' THR . . . . . 0.74 ' HB ' HG21 ' B' ' 7' ' ' THR . 87.4 m -65.37 -41.86 93.36 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -178.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 635' ' ' THR . . . . . 0.454 ' OG1' HG23 ' B' ' 7' ' ' THR . 39.2 m -62.07 -37.03 83.46 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.086 0.47 . . . . 0.0 110.078 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 636' ' ' ALA . . . . . . . . . . . . . . . -68.81 -7.41 33.94 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.463 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 108.41 7.29 30.43 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.52 -0.848 . . . . 0.0 113.876 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 638' ' ' TYR . . . . . 0.692 ' O ' ' HA ' ' A' ' 634' ' ' THR . 85.7 m-85 -96.12 148.56 22.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.881 0.341 . . . . 0.0 110.345 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 639' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -98.42 104.36 16.39 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 179.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 640' ' ' VAL . . . . . 0.778 HG22 ' HB ' ' A' ' 616' ' ' ILE . 43.9 t -102.72 128.87 55.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -177.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 641' ' ' ILE . . . . . 0.547 HG21 HD22 ' A' ' 654' ' ' LEU . 85.8 mt -121.71 127.47 75.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 114.913 -1.04 . . . . 0.0 108.748 177.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 642' ' ' TRP . . . . . 0.417 ' CH2' HG22 ' A' ' 644' ' ' VAL . 74.7 t90 -95.61 122.08 37.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.026 0.441 . . . . 0.0 111.159 -179.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 69.4 mt -117.08 138.45 51.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.896 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 644' ' ' VAL . . . . . 0.417 HG22 ' CH2' ' A' ' 642' ' ' TRP . 56.8 t -75.75 131.45 34.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . 0.685 ' HB3' HG12 ' A' ' 619' ' ' VAL . 5.7 p-10 -66.55 166.28 12.99 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -177.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 646' ' ' GLY . . . . . . . . . . . . . . . 101.48 -17.82 54.61 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 114.802 -1.09 . . . . 0.0 112.763 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 647' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -115.29 103.13 10.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.897 0.349 . . . . 0.0 111.381 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 648' ' ' VAL . . . . . . . . . . . . . 68.9 t -68.66 -39.88 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.56 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 649' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -58.61 -36.9 74.77 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.79 0.329 . . . . 0.0 110.129 178.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 650' ' ' ARG . . . . . . . . . . . . . 25.1 tpp180 -61.67 -41.29 97.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.564 177.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 651' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.35 -41.62 89.26 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.009 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 8.0 mp -65.88 -39.18 90.44 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.383 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . 0.515 ' HB2' HG13 ' B' ' 22' ' ' VAL . . . -58.85 -42.06 88.45 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 120.867 0.365 . . . . 0.0 111.609 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . 0.757 HD21 HD12 ' B' ' 25' ' ' LEU . 3.4 mp -110.82 30.26 7.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.884 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 655' ' ' THR . . . . . . . . . . . . . 8.5 t -52.63 112.94 3.87 Favored Pre-proline 0 N--CA 1.469 0.523 0 CA-C-O 121.97 0.891 . . . . 0.0 112.927 -177.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 656' ' ' PRO . . . . . 0.447 ' HG3' ' HB ' ' A' ' 617' ' ' VAL . 23.8 Cg_endo -90.31 -168.23 0.28 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 124.388 3.392 . . . . 0.0 112.743 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 44.3 pt -93.57 -14.05 8.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.726 177.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -148.35 136.38 21.03 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.812 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.783 HG23 HD11 ' A' ' 686' ' ' LEU . 86.7 t -119.21 129.9 74.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 120.808 0.337 . . . . 0.0 111.172 -179.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 660' ' ' LEU . . . . . 0.649 HD23 ' HB2' ' A' ' 689' ' ' PHE . 78.7 mt -106.41 122.93 47.26 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.842 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 661' ' ' LEU . . . . . . . . . . . . . 88.5 mt -112.97 121.06 43.53 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 662' ' ' ALA . . . . . . . . . . . . . . . -121.99 128.31 51.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.872 0.368 . . . . 0.0 111.988 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . 0.544 ' HB2' ' HA ' ' A' ' 664' ' ' PRO . 24.3 pt-20 -80.58 163.17 57.79 Favored Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.364 179.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 664' ' ' PRO . . . . . 0.544 ' HA ' ' HB2' ' A' ' 663' ' ' GLU . 75.3 Cg_endo -82.2 160.72 78.16 Favored 'Cis proline' 0 C--N 1.353 0.787 0 C-N-CA 124.658 -0.976 . . . . 0.0 113.876 -0.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 665' ' ' PHE . . . . . 0.457 ' CD1' ' HB ' ' A' ' 670' ' ' VAL . 75.2 m-85 -110.98 106.41 15.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.978 178.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 666' ' ' SER . . . . . 0.407 ' OG ' ' HG3' ' A' ' 621' ' ' GLU . 83.0 p -69.44 -36.72 76.92 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -179.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -124.15 118.5 27.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.914 0.388 . . . . 0.0 110.992 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 668' ' ' GLY . . . . . . . . . . . . . . . 88.06 160.11 35.4 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.56 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 669' ' ' ASP . . . . . 0.691 ' O ' ' HG2' ' A' ' 672' ' ' GLU . 99.8 m-20 -95.9 136.08 36.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.663 0.268 . . . . 0.0 110.401 179.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 670' ' ' VAL . . . . . 0.457 ' HB ' ' CD1' ' A' ' 665' ' ' PHE . 7.1 p -65.19 -29.51 47.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.935 0.397 . . . . 0.0 111.195 179.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 671' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -64.16 -39.35 93.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.762 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . 0.691 ' HG2' ' O ' ' A' ' 669' ' ' ASP . 10.5 pt-20 -69.51 -30.13 67.91 Favored 'General case' 0 CA--C 1.528 0.101 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.087 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 84.2 mt -64.39 -41.1 96.84 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 120.803 0.335 . . . . 0.0 110.901 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 74.6 t -62.22 -46.19 97.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.884 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 675' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -62.45 -44.81 95.5 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.557 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -62.76 -42.87 99.88 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.685 0.279 . . . . 0.0 111.406 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 677' ' ' LEU . . . . . . . . . . . . . 89.0 mt -65.75 -39.84 91.48 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.736 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 678' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -38.66 92.03 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.203 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 679' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -64.21 -36.77 85.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.797 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 680' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -87.42 -42.43 12.83 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -178.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 681' ' ' CYS . . . . . . . . . . . . . 77.1 m -125.06 134.06 52.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.723 0.297 . . . . 0.0 110.751 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 682' ' ' THR . . . . . . . . . . . . . 30.7 p -71.88 157.42 89.61 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.889 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 683' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -56.15 -34.63 93.62 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.922 2.414 . . . . 0.0 113.177 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 684' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -72.68 -22.28 60.94 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -96.28 -35.43 11.25 Favored 'General case' 0 C--N 1.334 -0.093 0 C-N-CA 121.071 -0.251 . . . . 0.0 111.58 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 686' ' ' LEU . . . . . 0.783 HD11 HG23 ' A' ' 659' ' ' VAL . 63.4 tp -129.29 130.75 46.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.645 0.259 . . . . 0.0 110.734 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -102.13 140.26 36.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 110.32 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 688' ' ' ILE . . . . . 0.486 ' O ' ' HA ' ' A' ' 700' ' ' VAL . 82.1 mt -118.81 128.98 75.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.11 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 689' ' ' PHE . . . . . 0.649 ' HB2' HD23 ' A' ' 660' ' ' LEU . 96.7 m-85 -119.44 139.98 51.16 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 690' ' ' ILE . . . . . . . . . . . . . 41.0 mm -112.33 127.09 69.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.415 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 691' ' ' LEU . . . . . 0.583 HD11 ' HE1' ' A' ' 713' ' ' PHE . 2.7 mp -107.41 122.41 46.54 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.892 0.377 . . . . 0.0 111.941 -179.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 692' ' ' GLY . . . . . 0.419 ' HA2' ' HB2' ' A' ' 706' ' ' LEU . . . 98.54 -20.1 51.78 Favored Glycine 0 CA--C 1.519 0.316 0 N-CA-C 115.06 0.784 . . . . 0.0 115.06 177.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 693' ' ' SER . . . . . . . . . . . . . 85.9 p -139.05 163.94 31.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 117.936 0.868 . . . . 0.0 111.76 -179.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . 0.512 ' HA ' ' CD2' ' A' ' 703' ' ' TYR . 64.3 pttt -146.65 159.61 43.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.451 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 695' ' ' GLY . . . . . . . . . . . . . . . 172.21 -173.37 45.23 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.176 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 696' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -87.43 83.74 7.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.787 0.327 . . . . 0.0 110.771 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 697' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -125.64 143.86 50.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.62 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 698' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -91.48 146.33 23.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.534 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 699' ' ' GLY . . . . . . . . . . . . . . . 93.75 -9.6 73.27 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.707 -0.759 . . . . 0.0 113.128 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 700' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' A' ' 688' ' ' ILE . 59.8 t -98.49 108.77 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 701' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -70.84 -41.67 71.18 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 702' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -146.78 143.58 28.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.088 0.47 . . . . 0.0 112.086 -178.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 703' ' ' TYR . . . . . 0.512 ' CD2' ' HA ' ' A' ' 694' ' ' LYS . 96.1 m-85 -106.5 134.8 49.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.946 178.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 704' ' ' ILE . . . . . 0.432 ' HB ' ' HG ' ' A' ' 691' ' ' LEU . 4.7 mp -109.24 112.35 59.54 Favored Pre-proline 0 C--N 1.327 -0.385 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 705' ' ' PRO . . . . . 0.528 ' O ' HG22 ' A' ' 708' ' ' ILE . 66.1 Cg_endo -71.95 153.41 58.11 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 122.88 2.387 . . . . 0.0 113.456 -179.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 706' ' ' LEU . . . . . 0.745 HD12 ' HA ' ' A' ' 707' ' ' PRO . 30.1 tp -109.35 138.08 20.42 Favored Pre-proline 0 CA--C 1.533 0.322 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.729 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 707' ' ' PRO . . . . . 0.745 ' HA ' HD12 ' A' ' 706' ' ' LEU . 61.5 Cg_endo -70.79 157.15 95.19 Favored 'Cis proline' 0 C--N 1.355 0.87 0 C-N-CA 124.365 -1.098 . . . . 0.0 113.388 0.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 708' ' ' ILE . . . . . 0.577 HD11 HD11 ' A' ' 629' ' ' ILE . 19.5 pt -106.61 153.67 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.088 -179.176 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 709' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -111.7 146.58 35.01 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 710' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -53.52 -51.65 10.41 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.451 2.101 . . . . 0.0 113.634 -178.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 711' ' ' GLU . . . . . . . . . . . . . 48.9 mp0 -66.99 -40.2 87.33 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.383 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 69.1 m -63.59 -46.7 84.64 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.17 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 713' ' ' PHE . . . . . 0.583 ' HE1' HD11 ' A' ' 691' ' ' LEU . 79.7 t80 -60.25 -49.03 79.23 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.086 179.305 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 63.0 tp -61.49 -43.59 98.6 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.996 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 715' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -63.81 -41.91 97.8 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 121.151 -0.22 . . . . 0.0 111.511 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 716' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -64.54 -41.39 96.39 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 121.099 -0.24 . . . . 0.0 110.9 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 717' ' ' VAL . . . . . . . . . . . . . 68.8 t -65.7 -45.64 91.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.814 0.34 . . . . 0.0 110.318 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 718' ' ' THR . . . . . . . . . . . . . 89.4 m -60.96 -46.53 90.35 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.27 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 719' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -39.44 94.02 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.648 179.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 720' ' ' GLY . . . . . . . . . . . . . . . -63.35 -40.78 99.32 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.208 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.62 -22.2 62.56 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.551 0.215 . . . . 0.0 111.277 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 722' ' ' THR . . . . . . . . . . . . . 94.0 m -61.24 -40.68 94.93 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.2 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 74.1 m -63.07 -39.66 95.37 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.582 178.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 724' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.6 -46.31 86.37 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.469 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 725' ' ' ALA . . . . . . . . . . . . . . . -148.91 142.29 25.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.858 0.361 . . . . 0.0 111.273 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 726' ' ' THR . . . . . . . . . . . . . 71.9 p -80.97 162.77 23.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.422 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 727' ' ' SER . . . . . . . . . . . . . 49.7 m 58.8 39.88 23.57 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.709 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -114.6 134.29 55.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.699 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 729' ' ' GLN . . . . . . . . . . . . . 7.7 tm0? . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.517 179.978 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.3 mmt . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.691 0.282 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.81 100.05 51.04 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.774 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -57.21 -40.81 79.86 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.95 2.433 . . . . 0.0 113.058 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 mp 48.72 52.8 13.35 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.693 0.621 . . . . 0.0 112.434 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.52 98.8 8.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.684 -0.235 . . . . 0.0 110.781 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -142.57 65.62 1.35 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.952 0.406 . . . . 0.0 110.598 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.74 HG21 ' HB ' ' A' ' 634' ' ' THR . 51.5 p -132.11 159.44 38.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.42 -179.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -107.65 150.32 27.05 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.41 HG11 ' HE2' ' B' ' 43' ' ' LYS . 65.4 t -122.46 127.26 75.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -177.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 83.6 mt -110.17 139.94 44.8 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.688 178.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -118.1 146.26 44.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.647 0.26 . . . . 0.0 110.941 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.5 ' HG ' HG23 ' B' ' 44' ' ' VAL . 0.2 OUTLIER -140.86 134.86 30.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.113 0.482 . . . . 0.0 111.298 179.146 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 75.8 m-85 -102.12 129.89 48.58 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.348 179.185 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.506 HG12 ' HB3' ' B' ' 63' ' ' PRO . 15.9 m -140.56 174.25 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.15 -178.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.24 145.65 24.28 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.449 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . 0.454 ' H ' HD12 ' B' ' 48' ' ' LEU . . . -71.98 131.21 17.76 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 114.911 0.724 . . . . 0.0 114.911 -178.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 51.34 39.97 25.34 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 178.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.3 p -106.59 136.99 19.33 Favored Pre-proline 0 C--N 1.321 -0.657 0 C-N-CA 120.368 -0.533 . . . . 0.0 109.628 178.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -53.55 -40.28 79.59 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.821 2.348 . . . . 0.0 113.584 -178.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -63.32 -40.85 98.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.039 0.447 . . . . 0.0 110.176 179.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.42 ' OG ' ' HB ' ' B' ' 14' ' ' VAL . 43.3 t -70.65 -42.66 70.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.88 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.515 HG13 ' HB2' ' A' ' 653' ' ' ALA . 53.3 t -60.25 -47.25 92.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.841 -179.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -68.21 -38.19 81.66 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.671 179.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.82 -40.94 94.64 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.757 HD12 HD21 ' A' ' 654' ' ' LEU . 3.1 mm? -64.19 -38.48 91.19 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.686 0.279 . . . . 0.0 111.013 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.29 -40.63 97.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.081 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 5.9 t -76.82 -39.01 52.81 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.922 -179.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.543 HD21 HD21 ' B' ' 65' ' ' LEU . 4.8 mp -64.52 -42.73 95.58 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.689 0.28 . . . . 0.0 110.644 179.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.61 -40.55 97.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.043 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -63.13 -44.73 94.76 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.388 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.698 HD11 ' HG3' ' B' ' 83' ' ' ARG . 88.1 mt -63.0 -45.29 99.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.145 -179.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.53 -42.7 98.41 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.722 -179.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.652 ' O ' ' HB2' ' B' ' 37' ' ' LYS . 44.4 tt0 -67.6 -43.75 79.76 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -67.03 -44.75 79.45 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -177.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -95.99 -44.52 7.31 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -177.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -129.59 60.0 1.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -176.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.652 ' HB2' ' O ' ' B' ' 33' ' ' GLU . 39.5 ttpt -72.97 134.94 44.91 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.837 -179.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.67 5.28 88.38 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.867 -0.682 . . . . 0.0 113.992 178.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -111.67 -68.01 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 117.288 0.544 . . . . 0.0 111.137 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' TYR . . . . . 0.512 ' CE1' ' HA ' ' B' ' 94' ' ' ALA . 62.8 m-85 -92.96 137.64 32.18 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -105.25 150.47 25.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.231 177.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.488 HD11 HD22 ' B' ' 12' ' ' LEU . 48.9 tp -118.71 127.61 53.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -177.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.443 ' O ' HD23 ' B' ' 12' ' ' LEU . 46.0 mtmt -114.55 141.61 47.51 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.392 178.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.5 HG23 ' HG ' ' B' ' 12' ' ' LEU . 7.7 p -127.09 138.31 55.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 121.21 0.529 . . . . 0.0 112.248 -178.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 5.2 mp -126.86 132.28 70.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.957 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -92.61 118.38 30.96 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.433 HG12 ' HB2' ' B' ' 54' ' ' ALA . 29.0 m -74.02 -24.58 19.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -177.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.454 HD12 ' H ' ' B' ' 16' ' ' GLY . 86.9 mt -65.23 -40.84 94.61 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -179.052 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -74.81 -39.95 61.38 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.644 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.45 ' HB2' HD12 ' B' ' 53' ' ' LEU . 34.7 m120 -130.57 81.44 67.74 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.112 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -56.81 -31.14 87.62 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.089 2.526 . . . . 0.0 113.045 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 18.6 pm0 -64.15 -26.02 68.34 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -179.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.45 HD12 ' HB2' ' B' ' 50' ' ' ASN . 89.1 mt -65.13 -41.28 94.96 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.789 0.328 . . . . 0.0 110.731 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . 0.433 ' HB2' HG12 ' B' ' 47' ' ' VAL . . . -66.23 -40.49 90.33 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.149 0.499 . . . . 0.0 110.396 178.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.54 -38.09 89.82 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.673 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -61.68 -39.79 92.68 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.652 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -92.0 8.13 39.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.964 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 57.2 mtmt 57.35 38.84 28.61 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.337 0.655 . . . . 0.0 112.576 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 91.1 mt -111.39 122.9 66.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.69 0.281 . . . . 0.0 110.868 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' B' ' 60' ' ' LEU . 1.5 mm? -116.99 19.78 14.14 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 -179.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -146.13 150.65 36.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.824 -0.171 . . . . 0.0 110.773 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 75.1 p -141.89 149.52 53.21 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.779 -0.191 . . . . 0.0 111.205 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . 0.506 ' HB3' HG12 ' B' ' 14' ' ' VAL . 89.5 Cg_endo -80.05 146.76 75.47 Favored 'Cis proline' 0 C--N 1.35 0.627 0 C-N-CA 123.532 -1.445 . . . . 0.0 112.969 -1.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . 0.43 ' O ' ' HA ' ' B' ' 12' ' ' LEU . 97.5 m -131.06 135.62 47.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.681 179.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.543 HD21 HD21 ' B' ' 28' ' ' LEU . 89.4 mt -99.8 129.77 45.93 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.027 0.442 . . . . 0.0 111.117 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -117.27 131.81 56.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.995 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.545 ' HE2' ' O ' ' B' ' 70' ' ' PRO . 87.0 tttt -95.63 124.15 39.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.666 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.548 HG12 ' HG ' ' B' ' 69' ' ' LEU . 41.1 t -104.36 -62.81 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.802 0.334 . . . . 0.0 110.762 179.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.548 ' HG ' HG12 ' B' ' 68' ' ' VAL . 90.6 mt -135.12 146.58 58.93 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.391 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . 0.545 ' O ' ' HE2' ' B' ' 67' ' ' LYS . 96.0 Cg_endo -77.48 158.06 95.61 Favored 'Cis proline' 0 C--N 1.348 0.54 0 C-N-CA 123.678 -1.384 . . . . 0.0 112.104 -1.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.82 165.33 32.47 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 122.45 2.1 . . . . 0.0 112.331 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.47 158.61 97.24 Favored 'Cis proline' 0 C--N 1.353 0.785 0 C-N-CA 124.319 -1.117 . . . . 0.0 114.068 1.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 35.7 m -83.22 151.78 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.247 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 -158.73 162.99 37.2 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.288 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 44.4 ptt85 -129.41 142.1 50.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.893 0.378 . . . . 0.0 110.66 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 82.9 mt -121.69 124.18 71.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.987 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -116.33 125.81 73.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.943 179.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 179.88 -171.59 43.1 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.329 -0.938 . . . . 0.0 112.502 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -85.64 104.94 15.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.782 0.325 . . . . 0.0 110.597 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.5 HD12 ' HB2' ' B' ' 63' ' ' PRO . 94.0 mt -91.96 0.76 57.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.29 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 55.5 m -66.02 -33.51 75.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.086 0.47 . . . . 0.0 110.568 179.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.468 ' O ' HG23 ' B' ' 86' ' ' VAL . 62.6 t-20 -92.26 119.21 31.64 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.341 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . 0.698 ' HG3' HD11 ' B' ' 31' ' ' ILE . 60.1 ttp180 -59.43 -37.72 78.8 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.466 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.92 -44.84 91.39 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 120.849 0.357 . . . . 0.0 110.54 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.89 -39.07 83.69 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.923 179.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 82' ' ' ASN . 86.0 t -60.68 -42.45 91.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.367 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 75.9 mt -60.62 -39.35 87.87 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-O 120.665 0.269 . . . . 0.0 110.952 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 90.2 mt -61.32 -47.02 95.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.048 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -85.29 -46.48 10.97 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -178.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.413 HD12 HD12 ' B' ' 93' ' ' LEU . 48.6 tp -66.13 -40.07 90.37 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -177.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -62.07 -34.74 76.84 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.591 0.234 . . . . 0.0 110.999 -179.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.41 -37.6 81.37 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.426 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.413 HD12 HD12 ' B' ' 90' ' ' LEU . 88.1 mt -62.15 -39.68 93.43 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.085 178.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.608 ' O ' HG22 ' B' ' 97' ' ' ILE . . . -62.95 -39.7 95.43 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.417 179.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.48 -33.24 73.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.391 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -59.51 -38.88 82.1 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.372 -178.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.608 HG22 ' O ' ' B' ' 94' ' ' ALA . 14.0 tt -67.81 -26.0 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-O 120.811 0.338 . . . . 0.0 111.171 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . -74.74 -13.56 82.12 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 121.033 -0.604 . . . . 0.0 112.925 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -85.6 75.36 10.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.978 0.418 . . . . 0.0 110.508 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -133.53 128.69 35.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.223 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -89.57 128.19 35.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.933 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -154.49 160.24 41.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.0 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -86.18 179.0 7.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.794 0.331 . . . . 0.0 110.959 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -157.7 160.11 37.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.106 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -156.29 157.93 36.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.35 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.238 -0.887 . . . . 0.0 111.469 -179.887 . . . . . . . . 0 0 . 1 stop_ save_