data_2ez5_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 2ez5 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' W' W ' 531' ' ' LEU . . . . . 0.43 ' CD1' ' HA ' ' W' ' 536' ' ' SER . 0.3 OUTLIER . . . . . 0 N--CA 1.461 0.086 0 N-CA-C 109.937 -0.394 . . . . 99.989999999999995 109.937 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 532' ' ' PRO . . . . . 0.436 ' HG2' ' HG2' ' W' ' 560' ' ' PRO . 83.4 Cg_exo -49.0 179.16 0.01 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.218 1.945 . . . . 99.989999999999995 112.674 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 533' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 93.1 Cg_exo -45.55 -40.02 17.85 Favored 'Trans proline' 0 CA--C 1.515 -0.442 0 C-N-CA 123.337 2.691 . . . . 99.989999999999995 115.335 -178.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 534' ' ' ARG . . . . . 0.433 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 11.2 mmm180 -131.88 63.76 1.61 Allowed 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 116.302 -0.408 . . . . 99.989999999999995 111.713 -178.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 535' ' ' TRP . . . . . 0.522 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 70.4 m95 -150.11 162.22 40.84 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.635 0.606 . . . . 99.989999999999995 112.635 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 536' ' ' SER . . . . . 0.43 ' HA ' ' CD1' ' W' ' 531' ' ' LEU . 1.7 m -145.49 -171.81 3.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.05 -0.977 . . . . 99.989999999999995 110.001 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 537' ' ' MET . . . . . 0.478 ' HE2' ' CZ ' ' W' ' 547' ' ' PHE . 0.0 OUTLIER -151.39 123.59 8.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.973 0.416 . . . . 99.989999999999995 111.342 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' W' W ' 538' ' ' GLN . . . . . 0.465 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 0.3 OUTLIER -144.41 140.63 29.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.927 -0.579 . . . . 99.989999999999995 110.632 179.702 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 7.3 p -79.02 136.23 24.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 99.989999999999995 111.118 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 540' ' ' ALA . . . . . 0.415 ' HB1' ' CD ' ' P' ' 230' ' ' PRO . . . -101.52 168.54 8.95 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 99.989999999999995 110.968 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -23.92 30.14 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.513 2.142 . . . . 99.989999999999995 112.113 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 542' ' ' ASN . . . . . 0.411 ' ND2' ' HD2' ' W' ' 544' ' ' ARG . 35.5 t-20 -52.62 -31.92 39.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 99.989999999999995 110.712 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 123.13 -8.15 9.13 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.818 -0.706 . . . . 99.989999999999995 113.036 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 544' ' ' ARG . . . . . 0.524 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 0.1 OUTLIER -129.57 158.59 38.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.992 0.425 . . . . 99.989999999999995 111.25 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 2.1 p -87.88 147.11 25.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.775 -0.648 . . . . 99.989999999999995 111.212 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 546' ' ' PHE . . . . . 0.465 ' CE1' ' O ' ' W' ' 538' ' ' GLN . 4.0 p90 -120.16 -175.04 2.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.14 -0.482 . . . . 99.989999999999995 111.044 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 547' ' ' PHE . . . . . 0.478 ' CZ ' ' HE2' ' W' ' 537' ' ' MET . 2.5 m-85 -125.78 116.39 21.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 99.989999999999995 110.748 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 548' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' W' ' 535' ' ' TRP . 3.5 mt -79.89 135.75 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.939 -0.573 . . . . 99.989999999999995 110.883 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -102.72 111.96 24.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.019 -0.537 . . . . 99.989999999999995 110.656 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -81.32 -23.54 37.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 99.989999999999995 111.074 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 551' ' ' ALA . . . . . 0.421 ' N ' ' HB3' ' W' ' 534' ' ' ARG . . . -59.93 -38.92 83.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.378 -0.374 . . . . 99.989999999999995 111.067 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.52 19.47 3.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 99.989999999999995 111.147 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.93 76.44 0.11 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.81 0.338 . . . . 99.989999999999995 111.166 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -150.02 -162.95 1.66 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 99.989999999999995 110.954 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 59.8 p -155.22 157.92 38.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 99.989999999999995 111.191 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 556' ' ' THR . . . . . 0.431 ' N ' HD13 ' P' ' 229' ' ' LEU . 4.3 t -155.61 157.08 36.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.046 0.45 . . . . 99.989999999999995 111.219 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 557' ' ' TRP . . . . . 0.524 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 17.0 m95 -80.71 -21.41 41.24 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.789 -0.641 . . . . 99.989999999999995 111.807 -179.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 2.6 mt -100.29 133.29 43.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.952 0.406 . . . . 99.989999999999995 111.527 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 559' ' ' ASP . . . . . 0.421 ' CB ' ' CE1' ' W' ' 547' ' ' PHE . 2.7 p30 -72.31 141.06 82.92 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.895 -0.593 . . . . 99.989999999999995 110.99 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 560' ' ' PRO . . . . . 0.522 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 22.0 Cg_endo -84.34 -27.33 1.47 Allowed 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.536 2.157 . . . . 99.989999999999995 111.948 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.61 -24.03 19.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.838 -0.619 . . . . 99.989999999999995 110.894 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -139.26 -57.31 0.59 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.309 -0.405 . . . . 99.989999999999995 110.593 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.846 -0.692 . . . . 99.989999999999995 112.414 -179.904 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.677 -0.169 . . . . 99.989999999999995 112.677 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' P' P ' 229' ' ' LEU . . . . . 0.494 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 32.0 tp 64.01 76.25 0.35 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.74 0.305 . . . . 99.989999999999995 110.853 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 230' ' ' PRO . . . . . 0.415 ' CD ' ' HB1' ' W' ' 540' ' ' ALA . 27.6 Cg_exo -61.99 99.11 0.18 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.595 2.197 . . . . 99.989999999999995 112.122 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 10.4 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 99.989999999999995 111.015 -179.927 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' W' W ' 531' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 CA--C 1.531 0.222 0 CA-C-O 120.429 0.157 . . . . 99.989999999999995 110.768 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' W' W ' 532' ' ' PRO . . . . . 0.494 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 92.4 Cg_exo -46.5 179.76 0.0 OUTLIER 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 123.005 2.47 . . . . 99.989999999999995 112.831 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 533' ' ' PRO . . . . . 0.494 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 25.2 Cg_exo -36.04 -62.36 0.25 Allowed 'Trans proline' 0 CA--C 1.517 -0.37 0 C-N-CA 123.473 2.782 . . . . 99.989999999999995 114.667 -179.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 534' ' ' ARG . . . . . 0.474 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 10.5 mmm180 -116.33 73.37 0.85 Allowed 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.711 -0.677 . . . . 99.989999999999995 110.759 -178.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 535' ' ' TRP . . . . . 0.528 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 83.7 m95 -157.38 152.63 26.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.779 -0.646 . . . . 99.989999999999995 111.796 -179.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 536' ' ' SER . . . . . . . . . . . . . 1.4 m -146.06 -171.87 3.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.359 -0.837 . . . . 99.989999999999995 110.068 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 537' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.04 134.17 18.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.943 0.402 . . . . 99.989999999999995 110.99 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 538' ' ' GLN . . . . . 0.475 ' O ' ' CD1' ' W' ' 546' ' ' PHE . 0.0 OUTLIER -145.06 141.79 29.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.932 -0.576 . . . . 99.989999999999995 110.801 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' W' W ' 539' ' ' VAL . . . . . 0.434 HG22 ' CG2' ' W' ' 545' ' ' THR . 39.9 t -76.15 139.44 18.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.321 -0.4 . . . . 99.989999999999995 111.0 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 540' ' ' ALA . . . . . . . . . . . . . . . -109.63 165.57 12.4 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.322 -0.399 . . . . 99.989999999999995 111.415 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.55 -24.96 35.32 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.603 2.202 . . . . 99.989999999999995 111.838 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -53.18 -36.79 61.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.803 -0.635 . . . . 99.989999999999995 110.723 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 128.8 -9.53 6.39 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.691 -0.766 . . . . 99.989999999999995 113.06 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 544' ' ' ARG . . . . . 0.527 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 1.3 ptm180 -128.04 156.81 42.17 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.003 0.43 . . . . 99.989999999999995 111.342 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 545' ' ' THR . . . . . 0.434 ' CG2' HG22 ' W' ' 539' ' ' VAL . 1.4 p -83.29 146.42 28.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.82 -0.627 . . . . 99.989999999999995 111.165 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 546' ' ' PHE . . . . . 0.496 ' HB3' ' CZ3' ' W' ' 557' ' ' TRP . 9.1 p90 -122.13 -174.63 2.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.172 -0.467 . . . . 99.989999999999995 110.916 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 547' ' ' PHE . . . . . 0.483 ' CE1' ' HB3' ' W' ' 559' ' ' ASP . 3.3 m-85 -114.33 165.59 12.55 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.103 -0.499 . . . . 99.989999999999995 110.08 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 548' ' ' ILE . . . . . . . . . . . . . 16.6 mt -130.9 108.47 15.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.268 -0.424 . . . . 99.989999999999995 111.388 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 549' ' ' ASP . . . . . 0.487 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 19.7 t70 -82.87 109.04 16.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.004 -0.544 . . . . 99.989999999999995 110.78 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 550' ' ' HIS . . . . . 0.406 ' HB2' ' HB3' ' W' ' 534' ' ' ARG . 35.3 m-70 -80.16 -25.51 39.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 99.989999999999995 110.873 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -57.87 -30.99 66.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 99.989999999999995 111.28 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.83 20.18 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 99.989999999999995 111.303 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 5.9 mmt85 47.28 76.17 0.11 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.374 -0.376 . . . . 99.989999999999995 111.218 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -149.53 -173.84 4.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.292 -0.413 . . . . 99.989999999999995 110.85 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 71.1 p -146.12 158.32 43.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.94 0.4 . . . . 99.989999999999995 111.405 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 7.4 t -151.07 164.21 36.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.981 -0.554 . . . . 99.989999999999995 111.263 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 557' ' ' TRP . . . . . 0.527 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 14.8 m95 -89.86 -16.26 30.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.755 -0.657 . . . . 99.989999999999995 111.964 -179.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 10.0 mm -114.45 143.83 23.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.017 0.437 . . . . 99.989999999999995 111.782 -179.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 559' ' ' ASP . . . . . 0.483 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 2.1 p30 -76.07 141.54 71.16 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.956 -0.565 . . . . 99.989999999999995 110.695 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 560' ' ' PRO . . . . . 0.528 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 30.2 Cg_endo -86.01 -23.44 2.01 Favored 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 122.629 2.219 . . . . 99.989999999999995 112.222 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.69 -29.66 40.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.031 -0.531 . . . . 99.989999999999995 111.008 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 562' ' ' ASN . . . . . 0.404 ' ND2' ' OD1' ' W' ' 559' ' ' ASP . 11.8 p30 -145.28 -47.59 0.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.333 -0.394 . . . . 99.989999999999995 111.04 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.237 0 C-N-CA 120.729 -0.748 . . . . 99.989999999999995 112.88 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.543 -0.223 . . . . 99.989999999999995 112.543 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' P' P ' 229' ' ' LEU . . . . . 0.476 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 25.3 tp -112.7 90.49 15.17 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.744 0.307 . . . . 99.989999999999995 110.886 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -55.86 121.18 9.51 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.496 2.13 . . . . 99.989999999999995 112.221 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.303 -0.408 . . . . 99.989999999999995 110.888 -179.936 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' W' W ' 531' ' ' LEU . . . . . 0.481 HD23 ' CE2' ' W' ' 547' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.143 0 N-CA-C 110.4 -0.222 . . . . 99.989999999999995 110.4 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 532' ' ' PRO . . . . . 0.43 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 81.9 Cg_exo -48.15 179.65 0.01 OUTLIER 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 122.501 2.134 . . . . 99.989999999999995 112.724 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 533' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 82.3 Cg_exo -43.65 -50.67 6.85 Favored 'Trans proline' 0 CA--C 1.516 -0.406 0 C-N-CA 123.383 2.722 . . . . 99.989999999999995 115.179 -178.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 534' ' ' ARG . . . . . 0.481 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 23.3 mmt180 -120.88 67.17 0.86 Allowed 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 116.096 -0.502 . . . . 99.989999999999995 111.629 -178.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 535' ' ' TRP . . . . . 0.523 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 81.0 m95 -154.22 156.14 36.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.159 0.505 . . . . 99.989999999999995 111.958 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 536' ' ' SER . . . . . 0.405 ' HA ' ' CD1' ' W' ' 531' ' ' LEU . 2.1 m -143.73 -171.78 3.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.407 -0.815 . . . . 99.989999999999995 110.057 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 537' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -149.4 141.13 23.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.954 0.407 . . . . 99.989999999999995 111.455 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 538' ' ' GLN . . . . . 0.464 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 0.0 OUTLIER -164.22 135.91 4.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.917 -0.583 . . . . 99.989999999999995 110.486 179.767 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' W' W ' 539' ' ' VAL . . . . . 0.421 HG22 ' CG2' ' W' ' 545' ' ' THR . 21.3 t -69.35 141.03 17.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.962 0.41 . . . . 99.989999999999995 111.471 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 540' ' ' ALA . . . . . 0.454 ' CB ' ' CE1' ' W' ' 546' ' ' PHE . . . -107.68 169.78 6.29 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.024 -0.534 . . . . 99.989999999999995 111.1 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 541' ' ' PRO . . . . . 0.424 ' HD2' ' CB ' ' W' ' 540' ' ' ALA . 58.3 Cg_endo -71.4 -18.9 29.42 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.656 2.237 . . . . 99.989999999999995 112.398 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -60.54 -34.96 74.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.42 . . . . 99.989999999999995 110.968 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 129.83 -12.81 5.87 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.593 -0.813 . . . . 99.989999999999995 113.007 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 544' ' ' ARG . . . . . 0.494 ' HG3' ' CE3' ' W' ' 557' ' ' TRP . 2.2 ptm180 -127.67 158.8 36.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.9 0.35 . . . . 99.989999999999995 111.14 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 545' ' ' THR . . . . . 0.421 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.6 OUTLIER -82.7 146.76 28.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 99.989999999999995 111.243 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' W' W ' 546' ' ' PHE . . . . . 0.49 ' HB3' ' CZ3' ' W' ' 557' ' ' TRP . 4.1 p90 -122.29 161.57 23.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.072 -0.513 . . . . 99.989999999999995 111.071 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 547' ' ' PHE . . . . . 0.482 ' CE1' ' HB3' ' W' ' 559' ' ' ASP . 1.9 m-85 -102.68 122.39 44.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 99.989999999999995 110.979 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 548' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' W' ' 535' ' ' TRP . 2.9 mp -80.6 133.88 28.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.867 -0.606 . . . . 99.989999999999995 110.837 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 549' ' ' ASP . . . . . 0.474 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 17.7 t0 -108.57 107.09 17.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 99.989999999999995 110.946 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -78.68 -26.64 45.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 99.989999999999995 111.018 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -56.4 -26.15 52.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 99.989999999999995 111.202 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.9 16.75 1.41 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.364 -0.38 . . . . 99.989999999999995 111.435 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? 50.26 65.86 1.32 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.817 0.341 . . . . 99.989999999999995 111.039 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.54 -162.05 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 99.989999999999995 111.067 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 46.5 p -156.83 161.73 39.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.031 -0.532 . . . . 99.989999999999995 110.966 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 556' ' ' THR . . . . . 0.422 ' N ' HD13 ' P' ' 229' ' ' LEU . 14.5 t -155.62 167.37 30.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.95 0.405 . . . . 99.989999999999995 111.325 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 557' ' ' TRP . . . . . 0.494 ' CE3' ' HG3' ' W' ' 544' ' ' ARG . 11.5 m95 -93.76 -21.3 19.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.971 -0.559 . . . . 99.989999999999995 111.502 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 558' ' ' ILE . . . . . 0.45 HD11 HG23 ' W' ' 558' ' ' ILE . 5.0 mm -105.57 133.46 49.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.3 -0.409 . . . . 99.989999999999995 111.333 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 559' ' ' ASP . . . . . 0.482 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 8.8 p30 -69.55 143.88 93.45 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.977 -0.556 . . . . 99.989999999999995 111.231 -179.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 560' ' ' PRO . . . . . 0.523 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 37.5 Cg_endo -87.48 -20.27 2.14 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 122.742 2.295 . . . . 99.989999999999995 112.292 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.57 -27.75 58.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 99.989999999999995 111.036 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -144.27 -49.36 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 99.989999999999995 110.995 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 99.989999999999995 112.497 -179.903 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.543 -0.223 . . . . 99.989999999999995 112.543 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' P' P ' 229' ' ' LEU . . . . . 0.437 ' HB2' ' NE1' ' W' ' 557' ' ' TRP . 49.7 tp -48.25 103.34 0.36 Allowed Pre-proline 0 C--N 1.331 -0.22 0 CA-C-O 120.47 0.176 . . . . 99.989999999999995 111.0 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 230' ' ' PRO . . . . . 0.406 ' HG2' ' CZ ' ' W' ' 546' ' ' PHE . 33.5 Cg_exo -58.94 -151.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.219 1.946 . . . . 99.989999999999995 111.648 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 9.4 p . . . . . 0 C--N 1.326 -0.418 0 CA-C-O 120.782 0.325 . . . . 99.989999999999995 110.956 179.821 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' W' W ' 531' ' ' LEU . . . . . 0.475 ' N ' ' CD2' ' W' ' 531' ' ' LEU . 2.1 mm? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.711 0.291 . . . . 99.989999999999995 110.506 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 532' ' ' PRO . . . . . 0.438 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 75.0 Cg_exo -48.94 -178.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.603 2.202 . . . . 99.989999999999995 112.798 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 533' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 92.1 Cg_exo -45.5 -43.01 18.15 Favored 'Trans proline' 0 CA--C 1.516 -0.409 0 C-N-CA 123.312 2.675 . . . . 99.989999999999995 114.898 -178.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 534' ' ' ARG . . . . . 0.446 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 13.3 mmm180 -127.43 64.23 1.34 Allowed 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 116.108 -0.496 . . . . 99.989999999999995 111.529 -178.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 535' ' ' TRP . . . . . 0.5 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 67.0 m95 -149.79 160.55 43.47 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.162 0.506 . . . . 99.989999999999995 112.181 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 536' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.3 -156.31 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.448 -0.796 . . . . 99.989999999999995 110.386 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 537' ' ' MET . . . . . . . . . . . . . 26.9 mtp -157.13 131.64 8.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 99.989999999999995 111.034 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 538' ' ' GLN . . . . . 0.41 ' HB3' ' CZ ' ' W' ' 546' ' ' PHE . 0.3 OUTLIER -149.86 150.09 31.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 99.989999999999995 110.953 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 14.4 p -92.45 136.4 24.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 99.989999999999995 110.896 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 540' ' ' ALA . . . . . 0.418 ' HB1' ' CD ' ' P' ' 230' ' ' PRO . . . -106.97 167.1 9.96 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 99.989999999999995 111.157 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.07 -23.26 25.11 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.5 2.134 . . . . 99.989999999999995 111.961 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 542' ' ' ASN . . . . . 0.436 ' ND2' ' HD3' ' W' ' 544' ' ' ARG . 30.5 t30 -51.58 -31.11 23.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 99.989999999999995 110.621 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 122.68 -9.69 9.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.599 -0.81 . . . . 99.989999999999995 113.05 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 544' ' ' ARG . . . . . 0.514 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 0.2 OUTLIER -131.1 153.92 48.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.986 0.422 . . . . 99.989999999999995 111.295 -179.794 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.0 146.56 30.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.88 -0.6 . . . . 99.989999999999995 110.506 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 546' ' ' PHE . . . . . 0.468 ' HB3' ' CZ3' ' W' ' 557' ' ' TRP . 6.3 p90 -118.07 -175.62 2.89 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.148 -0.478 . . . . 99.989999999999995 111.209 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 547' ' ' PHE . . . . . 0.493 ' CZ ' ' CB ' ' W' ' 559' ' ' ASP . 12.1 m-85 -123.2 121.54 36.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.156 0.503 . . . . 99.989999999999995 110.687 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 548' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' W' ' 535' ' ' TRP . 3.7 mp -86.32 140.36 15.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.513 -0.767 . . . . 99.989999999999995 110.481 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 549' ' ' ASP . . . . . 0.441 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 61.3 t0 -121.01 114.44 21.51 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.987 -0.551 . . . . 99.989999999999995 110.872 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 550' ' ' HIS . . . . . 0.415 ' HB3' ' CZ ' ' W' ' 534' ' ' ARG . 11.3 m-70 -81.85 -20.08 39.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 99.989999999999995 111.254 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.68 -34.84 79.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.34 . . . . 99.989999999999995 111.255 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.72 3.08 8.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.297 -0.411 . . . . 99.989999999999995 111.787 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 58.24 48.63 12.37 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.742 0.306 . . . . 99.989999999999995 110.877 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -145.36 158.48 43.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.294 -0.412 . . . . 99.989999999999995 110.965 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 555' ' ' THR . . . . . 0.401 ' OG1' ' CD2' ' P' ' 229' ' ' LEU . 61.7 p -110.37 169.81 8.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 99.989999999999995 110.769 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 1.8 t -158.35 160.21 36.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.002 0.43 . . . . 99.989999999999995 111.324 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 557' ' ' TRP . . . . . 0.514 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 20.4 m95 -91.61 15.87 11.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.776 -0.647 . . . . 99.989999999999995 111.392 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -133.28 141.37 44.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.932 0.396 . . . . 99.989999999999995 111.319 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 559' ' ' ASP . . . . . 0.493 ' CB ' ' CZ ' ' W' ' 547' ' ' PHE . 2.2 p30 -84.29 133.2 45.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.986 -0.552 . . . . 99.989999999999995 111.097 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 560' ' ' PRO . . . . . 0.5 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 17.6 Cg_endo -81.91 -32.57 0.77 Allowed 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.334 2.023 . . . . 99.989999999999995 111.632 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.7 -25.74 3.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.656 -0.702 . . . . 99.989999999999995 110.889 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -136.45 -48.16 0.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 99.989999999999995 110.713 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.854 -0.689 . . . . 99.989999999999995 112.302 -179.801 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.41 -0.276 . . . . 99.989999999999995 112.41 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' P' P ' 229' ' ' LEU . . . . . 0.426 ' HB2' ' NE1' ' W' ' 557' ' ' TRP . 0.4 OUTLIER -99.6 106.25 38.81 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.535 0.207 . . . . 99.989999999999995 110.966 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' P' P ' 230' ' ' PRO . . . . . 0.418 ' CD ' ' HB1' ' W' ' 540' ' ' ALA . 14.4 Cg_exo -69.08 104.6 1.24 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.651 2.234 . . . . 99.989999999999995 112.085 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 6.9 t . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 99.989999999999995 110.989 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' W' W ' 531' ' ' LEU . . . . . 0.427 ' CD1' ' HA ' ' W' ' 536' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.638 0.256 . . . . 99.989999999999995 110.651 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 532' ' ' PRO . . . . . 0.487 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 95.5 Cg_exo -48.3 -177.66 0.0 OUTLIER 'Trans proline' 0 CA--C 1.534 0.486 0 C-N-CA 122.941 2.427 . . . . 99.989999999999995 112.86 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 533' ' ' PRO . . . . . 0.487 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 51.4 Cg_exo -40.29 -57.33 1.23 Allowed 'Trans proline' 0 CA--C 1.514 -0.5 0 C-N-CA 123.459 2.772 . . . . 99.989999999999995 114.949 -178.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 534' ' ' ARG . . . . . 0.408 ' HB3' ' N ' ' W' ' 551' ' ' ALA . 5.8 mmm180 -121.24 71.49 0.95 Allowed 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.611 -0.722 . . . . 99.989999999999995 111.032 -178.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 535' ' ' TRP . . . . . 0.517 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 80.8 m95 -153.47 153.22 32.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.93 -0.577 . . . . 99.989999999999995 112.06 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 536' ' ' SER . . . . . 0.427 ' HA ' ' CD1' ' W' ' 531' ' ' LEU . 3.2 m -149.69 -173.74 4.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.545 -0.752 . . . . 99.989999999999995 110.305 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 537' ' ' MET . . . . . 0.447 ' SD ' ' CE1' ' W' ' 547' ' ' PHE . 0.0 OUTLIER -145.02 139.04 27.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.896 0.379 . . . . 99.989999999999995 111.072 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' W' W ' 538' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -148.96 154.15 38.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.053 -0.521 . . . . 99.989999999999995 110.719 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 7.6 p -96.93 133.32 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 99.989999999999995 111.325 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 540' ' ' ALA . . . . . 0.451 ' CB ' ' HD2' ' W' ' 541' ' ' PRO . . . -107.53 175.58 1.96 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.064 -0.517 . . . . 99.989999999999995 110.975 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 541' ' ' PRO . . . . . 0.451 ' HD2' ' CB ' ' W' ' 540' ' ' ALA . 73.7 Cg_endo -77.14 -20.24 12.98 Favored 'Trans proline' 0 N--CA 1.463 -0.288 0 C-N-CA 122.458 2.105 . . . . 99.989999999999995 112.019 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -51.17 -36.18 39.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 99.989999999999995 110.569 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 129.03 -12.61 6.09 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.739 -0.743 . . . . 99.989999999999995 112.911 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 544' ' ' ARG . . . . . 0.481 ' HG2' ' CH2' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.44 156.48 45.55 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.976 0.417 . . . . 99.989999999999995 111.453 -179.799 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 1.4 p -83.3 146.84 28.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.813 -0.63 . . . . 99.989999999999995 110.847 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 546' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -120.57 -175.13 2.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.005 -0.543 . . . . 99.989999999999995 110.935 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 547' ' ' PHE . . . . . 0.473 ' CE1' ' HB3' ' W' ' 559' ' ' ASP . 3.1 m-85 -114.67 164.5 13.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 99.989999999999995 110.078 179.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 548' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' W' ' 535' ' ' TRP . 17.4 mt -132.82 107.35 11.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.359 -0.382 . . . . 99.989999999999995 111.306 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 549' ' ' ASP . . . . . 0.485 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 32.7 t0 -79.5 109.26 13.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.333 -0.394 . . . . 99.989999999999995 110.625 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -76.94 -20.25 56.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 99.989999999999995 111.414 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 551' ' ' ALA . . . . . 0.408 ' N ' ' HB3' ' W' ' 534' ' ' ARG . . . -67.8 -50.21 58.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 99.989999999999995 110.881 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.75 -16.21 19.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.03 -0.532 . . . . 99.989999999999995 111.214 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 74.92 53.49 0.08 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.894 0.378 . . . . 99.989999999999995 110.858 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 554' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' W' ' 549' ' ' ASP . 25.3 mtt-85 -143.35 -177.01 5.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.029 -0.532 . . . . 99.989999999999995 110.772 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 555' ' ' THR . . . . . 0.424 ' CG2' HG12 ' W' ' 548' ' ' ILE . 76.7 p -133.62 159.4 40.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.944 0.402 . . . . 99.989999999999995 111.321 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 556' ' ' THR . . . . . 0.401 ' N ' HD13 ' P' ' 229' ' ' LEU . 5.1 t -152.31 164.66 36.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.976 -0.556 . . . . 99.989999999999995 111.071 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 557' ' ' TRP . . . . . 0.481 ' CH2' ' HG2' ' W' ' 544' ' ' ARG . 24.7 m95 -88.05 -18.1 29.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.877 -0.601 . . . . 99.989999999999995 111.469 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 1.2 mp -100.77 147.97 7.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.909 0.385 . . . . 99.989999999999995 111.322 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 559' ' ' ASP . . . . . 0.473 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 2.6 p30 -95.78 145.0 28.78 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.019 -0.537 . . . . 99.989999999999995 111.117 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 560' ' ' PRO . . . . . 0.517 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 12.5 Cg_endo -83.14 -32.63 0.49 Allowed 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 122.45 2.1 . . . . 99.989999999999995 111.888 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.29 -24.29 27.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.932 -0.576 . . . . 99.989999999999995 110.93 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -136.3 -67.0 0.52 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.254 -0.43 . . . . 99.989999999999995 110.625 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.808 -0.71 . . . . 99.989999999999995 112.408 -179.953 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.505 -0.238 . . . . 99.989999999999995 112.505 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' P' P ' 229' ' ' LEU . . . . . 0.444 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 0.4 OUTLIER -107.28 97.88 20.61 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-O 120.613 0.244 . . . . 99.989999999999995 110.994 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo -51.49 -172.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.629 2.219 . . . . 99.989999999999995 112.301 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 99.989999999999995 111.114 -179.881 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' W' W ' 531' ' ' LEU . . . . . 0.502 ' CD2' ' CE2' ' W' ' 547' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.118 0 N-CA-C 110.223 -0.288 . . . . 99.989999999999995 110.223 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 532' ' ' PRO . . . . . 0.416 ' HG2' ' HG2' ' W' ' 560' ' ' PRO . 74.5 Cg_exo -49.13 -179.6 0.01 OUTLIER 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.348 2.032 . . . . 99.989999999999995 112.563 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 533' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 86.4 Cg_exo -47.45 -40.34 29.14 Favored 'Trans proline' 0 CA--C 1.517 -0.37 0 C-N-CA 123.328 2.685 . . . . 99.989999999999995 115.262 -178.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 534' ' ' ARG . . . . . 0.405 ' HB3' ' HB2' ' W' ' 550' ' ' HIS . 7.7 mmm180 -130.35 61.89 1.59 Allowed 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 116.286 -0.415 . . . . 99.989999999999995 111.723 -178.097 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 535' ' ' TRP . . . . . 0.507 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 65.8 m95 -146.73 165.36 29.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.383 0.611 . . . . 99.989999999999995 112.609 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 536' ' ' SER . . . . . 0.432 ' HA ' ' CD1' ' W' ' 531' ' ' LEU . 3.5 m -153.51 -174.07 4.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.142 -0.935 . . . . 99.989999999999995 110.177 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 537' ' ' MET . . . . . 0.448 ' SD ' ' CE1' ' W' ' 547' ' ' PHE . 0.5 OUTLIER -142.06 144.2 33.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.873 0.368 . . . . 99.989999999999995 111.066 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' W' W ' 538' ' ' GLN . . . . . 0.43 ' HB3' ' CZ ' ' W' ' 546' ' ' PHE . 1.4 tp60 -158.77 140.44 13.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.003 -0.544 . . . . 99.989999999999995 110.897 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 11.7 p -87.95 127.07 41.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 99.989999999999995 111.0 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 540' ' ' ALA . . . . . 0.442 ' HB3' ' CE1' ' W' ' 546' ' ' PHE . . . -96.13 168.91 9.81 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 99.989999999999995 111.17 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.7 -23.12 19.78 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.615 2.21 . . . . 99.989999999999995 111.935 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -50.2 -41.15 49.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.968 -0.56 . . . . 99.989999999999995 110.753 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 135.17 -10.7 4.44 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.706 -0.759 . . . . 99.989999999999995 112.947 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 544' ' ' ARG . . . . . 0.483 ' HG3' ' CZ3' ' W' ' 557' ' ' TRP . 1.2 ptp180 -129.31 158.12 39.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.948 0.404 . . . . 99.989999999999995 111.221 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.77 147.12 24.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.896 -0.593 . . . . 99.989999999999995 110.646 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 546' ' ' PHE . . . . . 0.481 ' HB3' ' CE3' ' W' ' 557' ' ' TRP . 3.3 p90 -119.51 177.58 4.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.085 0.469 . . . . 99.989999999999995 111.473 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 547' ' ' PHE . . . . . 0.502 ' CE2' ' CD2' ' W' ' 531' ' ' LEU . 0.4 OUTLIER -119.88 117.85 29.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.799 -0.637 . . . . 99.989999999999995 110.392 179.622 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' W' W ' 548' ' ' ILE . . . . . 0.425 ' O ' ' HA ' ' W' ' 535' ' ' TRP . 2.6 mp -81.56 136.07 23.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.809 -0.632 . . . . 99.989999999999995 110.557 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 549' ' ' ASP . . . . . 0.476 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 26.0 t70 -110.21 111.19 22.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 99.989999999999995 110.685 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 550' ' ' HIS . . . . . 0.405 ' HB2' ' HB3' ' W' ' 534' ' ' ARG . 9.7 m-70 -76.7 -28.82 56.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 99.989999999999995 111.11 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -52.91 -55.14 25.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.365 . . . . 99.989999999999995 111.095 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.94 -13.99 15.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.129 -0.487 . . . . 99.989999999999995 111.48 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 75.5 63.85 0.06 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.885 0.374 . . . . 99.989999999999995 110.692 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -144.77 -174.8 4.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.035 -0.53 . . . . 99.989999999999995 110.744 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 70.2 p -135.36 162.1 33.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.328 -0.396 . . . . 99.989999999999995 111.076 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 4.2 t -160.26 159.27 31.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.28 -0.418 . . . . 99.989999999999995 111.273 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 557' ' ' TRP . . . . . 0.483 ' CZ3' ' HG3' ' W' ' 544' ' ' ARG . 13.8 m95 -89.2 -10.95 45.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.08 -0.509 . . . . 99.989999999999995 111.851 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 1.3 mt -110.43 129.19 65.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.961 0.41 . . . . 99.989999999999995 111.446 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 559' ' ' ASP . . . . . 0.401 ' HA ' ' HD3' ' W' ' 560' ' ' PRO . 0.9 OUTLIER -71.07 142.62 87.72 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 115.977 -0.556 . . . . 99.989999999999995 111.017 -179.783 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' W' W ' 560' ' ' PRO . . . . . 0.507 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 11.1 Cg_endo -81.78 -32.45 0.83 Allowed 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.365 2.044 . . . . 99.989999999999995 111.909 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.46 -22.61 55.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.954 -0.567 . . . . 99.989999999999995 110.946 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -125.84 -65.81 0.97 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.238 -0.437 . . . . 99.989999999999995 110.617 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.807 -0.711 . . . . 99.989999999999995 112.302 -179.883 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.216 0 N-CA-C 112.503 -0.239 . . . . 99.989999999999995 112.503 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' P' P ' 229' ' ' LEU . . . . . 0.427 ' HB2' ' NE1' ' W' ' 557' ' ' TRP . 40.1 tp -58.72 108.09 1.2 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.47 0.176 . . . . 99.989999999999995 110.864 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -59.91 -153.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.367 2.045 . . . . 99.989999999999995 111.941 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 13.0 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.35 -0.386 . . . . 99.989999999999995 110.997 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' W' W ' 531' ' ' LEU . . . . . 0.438 ' CD2' ' HG2' ' W' ' 537' ' ' MET . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.086 0 N-CA-C 110.372 -0.233 . . . . 99.989999999999995 110.372 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 532' ' ' PRO . . . . . 0.454 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 71.0 Cg_exo -49.66 -177.76 0.01 OUTLIER 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.375 2.05 . . . . 99.989999999999995 112.378 -179.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 533' ' ' PRO . . . . . 0.454 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 56.2 Cg_exo -41.82 -48.35 5.99 Favored 'Trans proline' 0 CA--C 1.516 -0.389 0 C-N-CA 123.397 2.732 . . . . 99.989999999999995 115.206 -178.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 534' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -129.38 68.73 1.41 Allowed 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.825 -0.625 . . . . 99.989999999999995 111.079 -178.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 535' ' ' TRP . . . . . 0.523 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 64.7 m95 -148.03 155.44 41.5 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.977 0.732 . . . . 99.989999999999995 112.977 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 536' ' ' SER . . . . . 0.437 ' HA ' ' CD1' ' W' ' 531' ' ' LEU . 4.8 m -152.33 -173.65 4.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.79 -1.095 . . . . 99.989999999999995 109.514 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 537' ' ' MET . . . . . 0.438 ' HG2' ' CD2' ' W' ' 531' ' ' LEU . 0.0 OUTLIER -159.14 130.05 6.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.087 0.47 . . . . 99.989999999999995 111.583 179.504 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' W' W ' 538' ' ' GLN . . . . . 0.479 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 1.3 mt-30 -133.69 145.26 49.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.588 -0.733 . . . . 99.989999999999995 110.288 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 539' ' ' VAL . . . . . 0.426 ' HA ' ' CG2' ' W' ' 545' ' ' THR . 12.9 p -75.49 129.85 36.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.437 -0.347 . . . . 99.989999999999995 110.954 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 540' ' ' ALA . . . . . 0.442 ' HB3' ' CD ' ' P' ' 230' ' ' PRO . . . -97.85 169.89 7.88 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 99.989999999999995 111.239 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.25 -21.88 13.2 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.553 2.169 . . . . 99.989999999999995 111.792 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -52.82 -49.01 66.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.058 -0.519 . . . . 99.989999999999995 110.83 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 148.69 -15.67 1.22 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.403 -0.904 . . . . 99.989999999999995 113.098 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 544' ' ' ARG . . . . . 0.494 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.29 152.29 50.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.0 0.429 . . . . 99.989999999999995 111.477 -179.76 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' W' W ' 545' ' ' THR . . . . . 0.426 ' CG2' ' HA ' ' W' ' 539' ' ' VAL . 0.8 OUTLIER -77.44 146.89 36.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.913 -0.585 . . . . 99.989999999999995 110.962 179.699 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' W' W ' 546' ' ' PHE . . . . . 0.479 ' CE1' ' O ' ' W' ' 538' ' ' GLN . 7.6 p90 -121.21 167.67 12.44 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.132 -0.486 . . . . 99.989999999999995 111.145 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 547' ' ' PHE . . . . . 0.466 ' CD2' ' CD ' ' W' ' 560' ' ' PRO . 3.5 m-85 -108.33 126.5 52.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.079 0.466 . . . . 99.989999999999995 111.225 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 548' ' ' ILE . . . . . . . . . . . . . 3.1 mp -86.52 135.0 26.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.763 -0.653 . . . . 99.989999999999995 111.029 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 549' ' ' ASP . . . . . 0.484 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 41.3 t0 -115.02 106.5 14.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.962 -0.563 . . . . 99.989999999999995 110.656 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -76.43 -39.4 53.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 99.989999999999995 111.161 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -55.51 -28.23 53.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.324 -0.398 . . . . 99.989999999999995 111.182 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.92 -11.75 9.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 99.989999999999995 111.706 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 553' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' W' ' 549' ' ' ASP . 24.8 mmt85 65.21 37.76 6.34 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.763 0.316 . . . . 99.989999999999995 110.843 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -139.56 152.97 47.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 99.989999999999995 110.855 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 60.6 p -103.76 168.83 8.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.499 . . . . 99.989999999999995 110.993 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 556' ' ' THR . . . . . 0.431 ' CA ' HD12 ' P' ' 229' ' ' LEU . 1.5 t -158.86 157.01 30.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.055 0.455 . . . . 99.989999999999995 111.355 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 557' ' ' TRP . . . . . 0.494 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 17.3 m95 -80.63 -21.21 41.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.712 -0.676 . . . . 99.989999999999995 111.519 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 1.2 mt -103.58 143.52 15.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.92 0.39 . . . . 99.989999999999995 111.547 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 559' ' ' ASP . . . . . 0.406 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 3.0 p30 -87.91 145.82 37.41 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 115.948 -0.569 . . . . 99.989999999999995 110.981 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 560' ' ' PRO . . . . . 0.523 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 15.8 Cg_endo -84.6 -31.83 0.42 Allowed 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.565 2.177 . . . . 99.989999999999995 112.224 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.5 -23.32 6.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.017 -0.538 . . . . 99.989999999999995 111.047 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -137.93 -46.07 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.395 -0.366 . . . . 99.989999999999995 110.673 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 C-N-CA 120.878 -0.677 . . . . 99.989999999999995 112.39 -179.725 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.466 -0.254 . . . . 99.989999999999995 112.466 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' P' P ' 229' ' ' LEU . . . . . 0.493 ' N ' ' CZ2' ' W' ' 557' ' ' TRP . 16.0 tp 66.25 74.89 0.35 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.71 0.291 . . . . 99.989999999999995 111.076 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 230' ' ' PRO . . . . . 0.442 ' CD ' ' HB3' ' W' ' 540' ' ' ALA . 47.2 Cg_exo -55.82 95.08 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.579 2.186 . . . . 99.989999999999995 111.963 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 99.989999999999995 111.222 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 531' ' ' LEU . . . . . 0.412 ' CD1' ' HA ' ' W' ' 536' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.673 0 CA-C-O 120.677 0.275 . . . . 99.989999999999995 111.376 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 532' ' ' PRO . . . . . 0.463 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 53.8 Cg_exo -51.61 -175.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.521 2.147 . . . . 99.989999999999995 113.015 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 533' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 16.5 Cg_exo -72.19 -2.78 12.15 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 123.534 2.823 . . . . 99.989999999999995 115.048 -178.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 534' ' ' ARG . . . . . 0.445 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 13.6 mmt180 -149.14 39.77 0.85 Allowed 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 120.084 -0.647 . . . . 99.989999999999995 111.75 -178.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 535' ' ' TRP . . . . . 0.526 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 30.0 m95 -140.89 170.0 16.56 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.17 0.509 . . . . 99.989999999999995 112.097 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 536' ' ' SER . . . . . 0.438 ' HB3' ' CD1' ' W' ' 548' ' ' ILE . 0.1 OUTLIER -137.13 -158.88 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.398 -0.819 . . . . 99.989999999999995 110.29 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' W' W ' 537' ' ' MET . . . . . . . . . . . . . 20.0 mtp -159.15 132.33 7.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.403 -0.362 . . . . 99.989999999999995 110.925 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 538' ' ' GLN . . . . . 0.416 ' HG3' ' N ' ' W' ' 539' ' ' VAL . 0.4 OUTLIER -167.3 146.07 4.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.307 -0.406 . . . . 99.989999999999995 111.114 -179.839 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' W' W ' 539' ' ' VAL . . . . . 0.416 ' N ' ' HG3' ' W' ' 538' ' ' GLN . 7.6 p -88.31 111.76 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.046 -0.524 . . . . 99.989999999999995 110.622 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 540' ' ' ALA . . . . . 0.407 ' CB ' ' HD2' ' W' ' 541' ' ' PRO . . . -71.31 167.49 29.4 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.174 -0.467 . . . . 99.989999999999995 111.397 -179.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 541' ' ' PRO . . . . . 0.407 ' HD2' ' CB ' ' W' ' 540' ' ' ALA . 42.4 Cg_endo -67.51 -24.76 41.91 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.55 2.167 . . . . 99.989999999999995 111.673 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -52.68 -30.37 31.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.893 -0.594 . . . . 99.989999999999995 110.523 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 118.98 -10.42 11.99 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.756 -0.735 . . . . 99.989999999999995 113.025 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 544' ' ' ARG . . . . . 0.529 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 12.0 ptp180 -122.63 156.44 34.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.923 0.362 . . . . 99.989999999999995 111.075 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 545' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' W' ' 539' ' ' VAL . 1.2 p -80.98 145.44 31.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 99.989999999999995 110.797 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 546' ' ' PHE . . . . . 0.486 ' HB3' ' CZ3' ' W' ' 557' ' ' TRP . 20.2 p90 -124.68 179.12 5.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.096 -0.502 . . . . 99.989999999999995 110.748 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 547' ' ' PHE . . . . . 0.511 ' CD1' ' CD ' ' W' ' 560' ' ' PRO . 0.7 OUTLIER -124.77 119.96 30.4 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.027 -0.533 . . . . 99.989999999999995 110.595 179.284 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' W' W ' 548' ' ' ILE . . . . . 0.438 ' CD1' ' HB3' ' W' ' 536' ' ' SER . 3.0 mt -78.97 136.49 23.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.711 -0.677 . . . . 99.989999999999995 110.512 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -106.21 103.23 12.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.963 -0.562 . . . . 99.989999999999995 111.09 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -71.57 -24.63 61.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.963 -0.562 . . . . 99.989999999999995 110.667 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -55.41 -37.33 67.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.225 -0.443 . . . . 99.989999999999995 111.194 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.9 15.83 3.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 99.989999999999995 111.504 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? 53.8 66.69 1.16 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.731 0.301 . . . . 99.989999999999995 111.04 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -146.79 -161.78 1.4 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.313 -0.403 . . . . 99.989999999999995 111.116 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 47.3 p -151.2 173.17 14.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 99.989999999999995 111.032 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 2.7 t -166.93 159.78 13.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.92 0.39 . . . . 99.989999999999995 111.482 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 557' ' ' TRP . . . . . 0.529 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 15.8 m95 -88.91 15.22 8.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.987 -0.551 . . . . 99.989999999999995 111.459 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 558' ' ' ILE . . . . . 0.407 HG21 HD11 ' W' ' 558' ' ' ILE . 5.8 mm -130.92 138.64 53.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.003 0.43 . . . . 99.989999999999995 111.741 -178.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 559' ' ' ASP . . . . . 0.477 ' HA ' ' CD2' ' W' ' 547' ' ' PHE . 2.2 p30 -76.31 135.26 69.54 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.868 -0.605 . . . . 99.989999999999995 111.027 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 560' ' ' PRO . . . . . 0.526 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 74.1 Cg_endo -77.56 -30.75 3.76 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.595 2.197 . . . . 99.989999999999995 112.063 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.02 -28.04 35.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.992 -0.549 . . . . 99.989999999999995 110.991 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -135.87 -69.86 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 99.989999999999995 110.658 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.73 . . . . 99.989999999999995 112.524 -179.895 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.609 -0.196 . . . . 99.989999999999995 112.609 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' P' P ' 229' ' ' LEU . . . . . 0.488 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 18.2 tp 68.95 93.47 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.653 0.263 . . . . 99.989999999999995 110.888 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -57.31 -153.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.529 2.153 . . . . 99.989999999999995 111.869 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.349 . . . . 99.989999999999995 111.105 179.829 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' W' W ' 531' ' ' LEU . . . . . 0.441 ' CD2' ' HG3' ' W' ' 537' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.131 0 N-CA-C 110.223 -0.288 . . . . 99.989999999999995 110.223 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' W' W ' 532' ' ' PRO . . . . . 0.443 ' HG2' ' HG2' ' W' ' 560' ' ' PRO . 85.6 Cg_exo -47.9 -179.29 0.01 OUTLIER 'Trans proline' 0 CA--C 1.531 0.361 0 C-N-CA 122.703 2.269 . . . . 99.989999999999995 113.329 -179.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' W' W ' 533' ' ' PRO . . . . . 0.439 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 87.1 Cg_exo -46.92 -44.09 23.21 Favored 'Trans proline' 0 CA--C 1.514 -0.501 0 C-N-CA 123.447 2.765 . . . . 99.989999999999995 114.946 -178.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' W' W ' 534' ' ' ARG . . . . . 0.47 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 17.2 mmm180 -122.8 65.87 0.96 Allowed 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.984 -0.553 . . . . 99.989999999999995 111.781 -178.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' W' W ' 535' ' ' TRP . . . . . 0.507 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 63.9 m95 -149.92 162.4 40.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.322 0.582 . . . . 99.989999999999995 112.273 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' W' W ' 536' ' ' SER . . . . . 0.433 ' HA ' ' CD1' ' W' ' 531' ' ' LEU . 3.8 m -154.66 -174.43 4.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.206 -0.906 . . . . 99.989999999999995 110.226 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' W' W ' 537' ' ' MET . . . . . 0.441 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 17.9 mtm -141.31 151.31 43.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.042 0.449 . . . . 99.989999999999995 111.402 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' W' W ' 538' ' ' GLN . . . . . 0.467 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 0.4 OUTLIER -165.41 138.54 4.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.728 -0.669 . . . . 99.989999999999995 110.494 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 13.3 p -78.48 139.97 17.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.884 0.374 . . . . 99.989999999999995 111.154 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 540' ' ' ALA . . . . . 0.441 ' CB ' ' HD2' ' W' ' 541' ' ' PRO . . . -110.19 171.49 4.34 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.093 -0.503 . . . . 99.989999999999995 111.176 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' W' W ' 541' ' ' PRO . . . . . 0.441 ' HD2' ' CB ' ' W' ' 540' ' ' ALA . 61.4 Cg_endo -73.39 -22.53 18.53 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.538 2.158 . . . . 99.989999999999995 111.824 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -51.79 -41.24 61.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.01 -0.541 . . . . 99.989999999999995 110.762 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 135.39 -12.55 4.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.593 -0.813 . . . . 99.989999999999995 113.009 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 544' ' ' ARG . . . . . 0.489 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 1.0 OUTLIER -131.24 158.12 41.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.97 0.414 . . . . 99.989999999999995 111.441 -179.841 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.36 147.26 28.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.868 -0.606 . . . . 99.989999999999995 110.53 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' W' W ' 546' ' ' PHE . . . . . 0.467 ' CE1' ' O ' ' W' ' 538' ' ' GLN . 4.2 p90 -119.61 -178.06 3.53 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.199 -0.455 . . . . 99.989999999999995 111.435 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' W' W ' 547' ' ' PHE . . . . . 0.489 ' CD2' ' HD3' ' W' ' 560' ' ' PRO . 1.4 m-85 -115.98 133.53 55.93 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.931 -0.577 . . . . 99.989999999999995 110.166 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' W' W ' 548' ' ' ILE . . . . . 0.423 ' O ' ' HA ' ' W' ' 535' ' ' TRP . 4.1 mp -94.44 136.82 24.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.872 -0.604 . . . . 99.989999999999995 110.707 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' W' W ' 549' ' ' ASP . . . . . 0.421 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 28.5 t0 -115.71 112.88 22.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.927 -0.579 . . . . 99.989999999999995 110.969 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' W' W ' 550' ' ' HIS . . . . . 0.401 ' CD2' ' N ' ' W' ' 550' ' ' HIS . 6.5 m-70 -86.5 -27.63 23.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.117 -0.492 . . . . 99.989999999999995 110.746 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -55.88 -25.5 42.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.025 -0.534 . . . . 99.989999999999995 111.186 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.34 15.42 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.419 . . . . 99.989999999999995 111.508 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? 49.21 72.25 0.31 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.837 0.351 . . . . 99.989999999999995 111.081 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -154.84 -167.51 2.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 99.989999999999995 110.893 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 74.7 p -150.38 169.86 20.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.021 -0.536 . . . . 99.989999999999995 110.858 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 1.8 t -162.23 162.81 28.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.973 0.416 . . . . 99.989999999999995 111.198 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 557' ' ' TRP . . . . . 0.489 ' CE2' ' HB2' ' P' ' 229' ' ' LEU . 14.6 m95 -87.23 -19.62 28.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.925 -0.58 . . . . 99.989999999999995 111.811 -179.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' W' W ' 558' ' ' ILE . . . . . 0.409 HG22 HD11 ' W' ' 558' ' ' ILE . 5.0 mm -109.57 139.33 33.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.979 0.418 . . . . 99.989999999999995 111.519 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' W' W ' 559' ' ' ASP . . . . . 0.42 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 0.8 OUTLIER -74.42 141.51 76.9 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.875 -0.602 . . . . 99.989999999999995 111.118 -179.588 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' W' W ' 560' ' ' PRO . . . . . 0.507 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 34.5 Cg_endo -86.19 -20.7 2.71 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 122.662 2.241 . . . . 99.989999999999995 112.233 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -49.41 -27.25 3.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.054 -0.521 . . . . 99.989999999999995 111.061 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -158.96 -43.01 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 99.989999999999995 110.893 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 120.592 -0.813 . . . . 99.989999999999995 112.733 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.481 -0.247 . . . . 99.989999999999995 112.481 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' P' P ' 229' ' ' LEU . . . . . 0.489 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 16.7 tp 70.35 75.29 0.25 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 120.731 0.3 . . . . 99.989999999999995 111.289 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 230' ' ' PRO . . . . . 0.423 ' CD ' ' HB3' ' W' ' 540' ' ' ALA . 26.2 Cg_exo -62.29 113.13 1.78 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.671 2.247 . . . . 99.989999999999995 111.93 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.394 0 CA-C-O 120.981 0.42 . . . . 99.989999999999995 111.127 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 531' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.531 0.227 0 CA-C-O 120.455 0.169 . . . . 99.989999999999995 110.767 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 532' ' ' PRO . . . . . 0.491 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 88.5 Cg_exo -47.37 179.22 0.01 OUTLIER 'Trans proline' 0 CA--C 1.532 0.424 0 C-N-CA 122.77 2.313 . . . . 99.989999999999995 112.62 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 533' ' ' PRO . . . . . 0.491 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 35.2 Cg_exo -35.85 -62.17 0.25 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.388 2.725 . . . . 99.989999999999995 114.602 -178.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 534' ' ' ARG . . . . . 0.48 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 19.8 mmt85 -115.69 71.92 0.79 Allowed 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.755 -0.657 . . . . 99.989999999999995 110.547 -179.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 535' ' ' TRP . . . . . 0.536 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 87.0 m95 -157.48 151.49 24.49 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.942 -0.572 . . . . 99.989999999999995 111.845 -179.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 536' ' ' SER . . . . . . . . . . . . . 3.4 m -147.81 -173.76 4.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.469 -0.787 . . . . 99.989999999999995 110.286 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 537' ' ' MET . . . . . 0.448 ' SD ' ' CE1' ' W' ' 547' ' ' PHE . 0.2 OUTLIER -143.53 127.73 17.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.95 0.405 . . . . 99.989999999999995 110.965 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' W' W ' 538' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -140.41 143.85 35.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 99.989999999999995 110.927 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 5.6 p -88.46 129.12 40.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 99.989999999999995 110.953 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 540' ' ' ALA . . . . . 0.469 ' HB2' ' CD1' ' W' ' 546' ' ' PHE . . . -102.56 172.59 4.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 99.989999999999995 111.22 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 541' ' ' PRO . . . . . 0.419 ' HD2' ' CB ' ' W' ' 540' ' ' ALA . 73.0 Cg_endo -76.63 -22.18 12.28 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.64 2.227 . . . . 99.989999999999995 112.054 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -50.03 -40.83 46.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.027 -0.533 . . . . 99.989999999999995 110.791 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 136.38 -14.16 3.99 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.598 -0.811 . . . . 99.989999999999995 112.979 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 544' ' ' ARG . . . . . 0.523 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 11.1 ptp180 -130.9 156.87 44.33 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.898 0.38 . . . . 99.989999999999995 111.264 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.89 146.94 30.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.954 -0.566 . . . . 99.989999999999995 111.05 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 546' ' ' PHE . . . . . 0.491 ' HB3' ' CZ3' ' W' ' 557' ' ' TRP . 7.9 p90 -125.93 158.7 34.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.088 -0.506 . . . . 99.989999999999995 111.198 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 547' ' ' PHE . . . . . 0.489 ' CE1' ' HB3' ' W' ' 559' ' ' ASP . 2.3 m-85 -93.48 157.2 16.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.116 -0.493 . . . . 99.989999999999995 110.253 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 548' ' ' ILE . . . . . 0.42 ' O ' ' HA ' ' W' ' 535' ' ' TRP . 10.8 mt -125.1 107.22 17.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.755 0.312 . . . . 99.989999999999995 111.455 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 549' ' ' ASP . . . . . 0.497 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 31.3 t0 -76.19 109.47 9.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 99.989999999999995 110.807 179.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -72.53 -15.8 61.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 99.989999999999995 111.382 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.64 -48.3 72.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.799 0.333 . . . . 99.989999999999995 111.034 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.05 17.68 10.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 99.989999999999995 111.203 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 48.86 51.08 16.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.827 0.346 . . . . 99.989999999999995 111.031 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -120.81 173.02 7.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 99.989999999999995 110.535 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 27.0 p -135.52 152.02 50.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.038 0.447 . . . . 99.989999999999995 112.011 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 2.5 t -147.87 158.14 43.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.715 -0.675 . . . . 99.989999999999995 110.813 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 557' ' ' TRP . . . . . 0.523 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 17.3 m95 -80.23 -11.56 59.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.048 -0.523 . . . . 99.989999999999995 111.96 -179.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.3 mm -112.89 154.17 14.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.063 0.459 . . . . 99.989999999999995 111.875 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 559' ' ' ASP . . . . . 0.489 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 2.3 p30 -95.66 144.0 27.08 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 115.793 -0.64 . . . . 99.989999999999995 111.227 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 560' ' ' PRO . . . . . 0.536 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 28.3 Cg_endo -86.09 -25.16 1.49 Allowed 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.574 2.183 . . . . 99.989999999999995 112.21 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.33 -23.56 9.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.96 -0.564 . . . . 99.989999999999995 110.94 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -149.77 -50.59 0.14 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.255 -0.429 . . . . 99.989999999999995 110.491 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 99.989999999999995 112.388 -179.902 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.448 0 N-CA-C 112.501 -0.24 . . . . 99.989999999999995 112.501 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' P' P ' 229' ' ' LEU . . . . . 0.491 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 4.3 tp 58.31 78.38 0.36 Allowed Pre-proline 0 C--N 1.327 -0.39 0 CA-C-O 120.695 0.283 . . . . 99.989999999999995 111.066 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -46.76 115.61 1.31 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.235 1.957 . . . . 99.989999999999995 111.752 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 93.7 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 99.989999999999995 111.379 -179.464 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' W' W ' 531' ' ' LEU . . . . . 0.437 ' HA ' ' HD3' ' W' ' 561' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.467 0.408 0 CA-C-O 120.714 0.292 . . . . 99.989999999999995 111.781 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 532' ' ' PRO . . . . . 0.479 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 74.1 Cg_exo -50.26 -173.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.756 2.304 . . . . 99.989999999999995 113.11 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 533' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 22.4 Cg_exo -68.92 -12.0 33.28 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.394 2.729 . . . . 99.989999999999995 115.12 -178.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 534' ' ' ARG . . . . . 0.434 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 18.6 mmt85 -142.59 44.17 1.62 Allowed 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.412 -0.515 . . . . 99.989999999999995 111.892 -178.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 535' ' ' TRP . . . . . 0.511 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 33.9 m95 -140.61 170.0 16.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.154 0.502 . . . . 99.989999999999995 112.312 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 536' ' ' SER . . . . . 0.405 ' HA ' HD12 ' W' ' 531' ' ' LEU . 0.1 OUTLIER -138.44 -159.96 1.01 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.494 -0.775 . . . . 99.989999999999995 110.54 179.849 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' W' W ' 537' ' ' MET . . . . . . . . . . . . . 64.2 mtp -149.77 120.31 7.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 99.989999999999995 110.555 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 538' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -148.89 138.47 21.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.958 0.409 . . . . 99.989999999999995 111.282 -179.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 26.0 t -82.71 130.56 35.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.057 -0.52 . . . . 99.989999999999995 110.66 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 540' ' ' ALA . . . . . 0.474 ' HB3' ' CE1' ' W' ' 546' ' ' PHE . . . -95.43 155.16 39.03 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.406 . . . . 99.989999999999995 111.35 -179.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.55 -21.01 70.54 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.577 2.185 . . . . 99.989999999999995 112.039 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 542' ' ' ASN . . . . . 0.449 ' ND2' ' NE ' ' W' ' 544' ' ' ARG . 40.2 t30 -54.24 -43.09 70.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.105 -0.498 . . . . 99.989999999999995 110.686 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 137.18 -11.51 3.85 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.637 -0.792 . . . . 99.989999999999995 113.052 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 544' ' ' ARG . . . . . 0.491 ' HG2' ' CE3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -128.26 144.77 51.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.911 0.386 . . . . 99.989999999999995 111.324 -179.845 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.92 146.28 51.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.047 -0.524 . . . . 99.989999999999995 110.294 179.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 546' ' ' PHE . . . . . 0.482 ' HB3' ' CE3' ' W' ' 557' ' ' TRP . 25.2 p90 -124.14 173.48 8.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.16 -0.473 . . . . 99.989999999999995 111.135 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 547' ' ' PHE . . . . . 0.502 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.5 OUTLIER -117.35 122.58 44.26 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.952 -0.567 . . . . 99.989999999999995 111.008 179.815 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' W' W ' 548' ' ' ILE . . . . . 0.418 ' O ' ' HA ' ' W' ' 535' ' ' TRP . 2.8 mp -83.09 142.39 13.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.451 -0.795 . . . . 99.989999999999995 110.873 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 549' ' ' ASP . . . . . 0.481 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 23.1 t70 -116.6 117.94 31.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.957 -0.565 . . . . 99.989999999999995 110.726 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 550' ' ' HIS . . . . . 0.424 ' CD2' ' N ' ' W' ' 550' ' ' HIS . 6.3 m170 -81.56 -30.47 33.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 99.989999999999995 111.062 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -49.02 -40.03 29.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 99.989999999999995 111.25 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.22 2.08 4.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 99.989999999999995 111.84 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 64.37 56.3 1.31 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.816 0.341 . . . . 99.989999999999995 111.07 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 62.1 mtm180 -134.43 -163.43 1.37 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 99.989999999999995 110.664 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 555' ' ' THR . . . . . 0.416 ' OG1' ' CG ' ' P' ' 229' ' ' LEU . 19.3 p -156.03 177.48 11.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.064 0.459 . . . . 99.989999999999995 111.479 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 556' ' ' THR . . . . . 0.41 ' N ' HD22 ' P' ' 229' ' ' LEU . 0.8 OUTLIER -167.46 160.17 12.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.729 -0.669 . . . . 99.989999999999995 110.998 179.731 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' W' W ' 557' ' ' TRP . . . . . 0.491 ' CE3' ' HG2' ' W' ' 544' ' ' ARG . 20.7 m95 -83.45 9.87 10.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.078 -0.51 . . . . 99.989999999999995 111.849 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.3 mm -132.14 148.11 32.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.885 0.374 . . . . 99.989999999999995 111.27 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 559' ' ' ASP . . . . . 0.426 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 0.8 OUTLIER -89.67 112.32 51.17 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.041 -0.527 . . . . 99.989999999999995 111.433 -179.42 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' W' W ' 560' ' ' PRO . . . . . 0.511 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 9.7 Cg_endo -54.16 -31.01 63.6 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.268 1.979 . . . . 99.989999999999995 111.651 179.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 561' ' ' ARG . . . . . 0.437 ' HD3' ' HA ' ' W' ' 531' ' ' LEU . 0.5 OUTLIER -64.91 -19.59 66.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.7 -0.682 . . . . 99.989999999999995 111.092 179.835 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -134.41 -69.16 0.53 Allowed 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.738 0.304 . . . . 99.989999999999995 110.977 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 563' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' W' ' 559' ' ' ASP . . . . . . . . 0 N--CA 1.45 -0.425 0 C-N-CA 120.8 -0.714 . . . . 99.989999999999995 112.588 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.584 -0.207 . . . . 99.989999999999995 112.584 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' P' P ' 229' ' ' LEU . . . . . 0.487 ' HB2' ' CZ2' ' W' ' 557' ' ' TRP . 31.5 tp -90.65 110.44 41.37 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.48 0.181 . . . . 99.989999999999995 110.9 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -39.94 -34.34 0.89 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.679 2.253 . . . . 99.989999999999995 112.489 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.068 -0.514 . . . . 99.989999999999995 111.217 179.881 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' W' W ' 531' ' ' LEU . . . . . 0.437 ' CD1' ' HA ' ' W' ' 536' ' ' SER . 0.9 OUTLIER . . . . . 0 CA--C 1.529 0.171 0 N-CA-C 110.508 -0.182 . . . . 99.989999999999995 110.508 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 532' ' ' PRO . . . . . 0.483 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 53.3 Cg_exo -44.71 174.63 0.01 OUTLIER 'Trans proline' 0 CA--C 1.533 0.469 0 C-N-CA 122.854 2.369 . . . . 99.989999999999995 113.094 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 533' ' ' PRO . . . . . 0.483 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 59.3 Cg_exo -36.2 -59.34 0.42 Allowed 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.534 2.822 . . . . 99.989999999999995 115.068 -178.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 534' ' ' ARG . . . . . 0.475 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 7.5 mmm180 -116.67 69.87 0.76 Allowed 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.888 -0.596 . . . . 99.989999999999995 111.31 -178.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 535' ' ' TRP . . . . . 0.5 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 93.6 m95 -157.78 128.26 6.34 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.057 -0.52 . . . . 99.989999999999995 111.531 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 536' ' ' SER . . . . . 0.437 ' HA ' ' CD1' ' W' ' 531' ' ' LEU . 2.6 m -119.3 -173.54 2.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.685 -0.688 . . . . 99.989999999999995 110.81 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 537' ' ' MET . . . . . 0.448 ' HG2' ' CE1' ' W' ' 547' ' ' PHE . 45.9 mtm -133.65 144.54 49.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.058 -0.519 . . . . 99.989999999999995 110.689 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 538' ' ' GLN . . . . . 0.473 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 2.0 tp-100 -163.26 129.09 3.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.346 -0.388 . . . . 99.989999999999995 111.054 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 8.1 p -79.89 130.13 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 99.989999999999995 111.016 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 540' ' ' ALA . . . . . 0.432 ' HB2' ' CD ' ' P' ' 230' ' ' PRO . . . -102.22 160.91 24.96 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.071 -0.513 . . . . 99.989999999999995 111.355 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -64.55 -25.57 62.44 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.668 2.245 . . . . 99.989999999999995 111.24 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 542' ' ' ASN . . . . . 0.401 ' ND2' ' HD3' ' W' ' 544' ' ' ARG . 52.2 t30 -49.41 -26.25 3.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.61 -0.723 . . . . 99.989999999999995 110.678 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 115.99 -8.85 18.65 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.693 -0.765 . . . . 99.989999999999995 112.882 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 544' ' ' ARG . . . . . 0.488 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.43 156.31 45.82 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.996 0.427 . . . . 99.989999999999995 111.192 -179.875 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.34 146.65 26.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.981 -0.554 . . . . 99.989999999999995 110.785 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 546' ' ' PHE . . . . . 0.484 ' HB3' ' CZ3' ' W' ' 557' ' ' TRP . 4.0 p90 -119.44 -175.96 3.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.077 -0.511 . . . . 99.989999999999995 111.04 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 547' ' ' PHE . . . . . 0.493 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.6 OUTLIER -125.63 129.32 49.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.079 -0.51 . . . . 99.989999999999995 110.428 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' W' W ' 548' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' W' ' 535' ' ' TRP . 3.0 mp -91.33 117.19 34.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.941 -0.572 . . . . 99.989999999999995 111.465 -179.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 549' ' ' ASP . . . . . 0.423 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 36.6 t0 -89.73 95.92 10.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 99.989999999999995 110.736 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -62.02 -32.68 73.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 99.989999999999995 111.146 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -57.48 -49.47 76.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.24 -0.436 . . . . 99.989999999999995 111.414 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.23 -6.19 28.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.416 . . . . 99.989999999999995 111.772 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 64.91 48.87 2.25 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.867 0.365 . . . . 99.989999999999995 110.817 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -143.05 -162.5 1.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 99.989999999999995 110.869 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 45.1 p -145.72 157.12 43.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 99.989999999999995 111.085 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 15.1 t -146.87 164.07 34.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 99.989999999999995 111.101 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 557' ' ' TRP . . . . . 0.488 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 36.5 m95 -92.78 17.69 10.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.114 -0.494 . . . . 99.989999999999995 111.288 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.2 mm -133.43 147.42 31.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.849 0.357 . . . . 99.989999999999995 111.369 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 559' ' ' ASP . . . . . 0.479 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 9.2 p30 -104.33 118.06 57.71 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.064 -0.516 . . . . 99.989999999999995 110.915 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 560' ' ' PRO . . . . . 0.5 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 10.6 Cg_endo -56.98 -25.53 63.3 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.5 2.133 . . . . 99.989999999999995 112.812 -179.613 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 561' ' ' ARG . . . . . 0.442 ' CG ' ' HB2' ' W' ' 559' ' ' ASP . 0.1 OUTLIER -50.31 -37.72 37.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.552 -0.295 . . . . 99.989999999999995 111.153 -179.657 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -149.57 20.85 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.455 -0.339 . . . . 99.989999999999995 111.368 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.282 0 C-N-CA 120.883 -0.675 . . . . 99.989999999999995 113.006 179.736 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.362 0 CA-C-O 120.368 -0.129 . . . . 99.989999999999995 113.133 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' P' P ' 229' ' ' LEU . . . . . 0.453 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 4.2 tp -48.9 102.9 0.33 Allowed Pre-proline 0 CA--C 1.529 0.14 0 CA-C-N 116.855 0.328 . . . . 99.989999999999995 111.217 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 230' ' ' PRO . . . . . 0.432 ' CD ' ' HB2' ' W' ' 540' ' ' ALA . 18.7 Cg_exo -66.36 101.9 0.55 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.59 2.193 . . . . 99.989999999999995 111.898 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 68.8 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 99.989999999999995 111.178 -179.698 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' W' W ' 531' ' ' LEU . . . . . 0.436 ' CD2' ' HG2' ' W' ' 537' ' ' MET . 1.5 mt . . . . . 0 CA--C 1.529 0.138 0 N-CA-C 110.16 -0.311 . . . . 99.989999999999995 110.16 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 532' ' ' PRO . . . . . 0.499 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 80.3 Cg_exo -47.49 -179.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.799 2.333 . . . . 99.989999999999995 112.907 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' W' W ' 533' ' ' PRO . . . . . 0.499 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 20.5 Cg_exo -36.93 -57.52 0.64 Allowed 'Trans proline' 0 CA--C 1.515 -0.473 0 C-N-CA 123.518 2.812 . . . . 99.989999999999995 114.991 -178.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' W' W ' 534' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -123.26 71.07 1.05 Allowed 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.63 -0.714 . . . . 99.989999999999995 110.966 -178.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 535' ' ' TRP . . . . . 0.536 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 71.0 m95 -150.9 162.44 40.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.368 0.604 . . . . 99.989999999999995 112.513 -179.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' W' W ' 536' ' ' SER . . . . . 0.427 ' HA ' ' CD2' ' W' ' 531' ' ' LEU . 16.6 m -162.61 -171.69 2.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.005 -0.998 . . . . 99.989999999999995 109.696 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' W' W ' 537' ' ' MET . . . . . 0.489 ' HB3' ' CD1' ' W' ' 547' ' ' PHE . 0.0 OUTLIER -155.05 138.72 16.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.094 0.473 . . . . 99.989999999999995 111.559 179.66 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' W' W ' 538' ' ' GLN . . . . . 0.425 ' O ' ' CD1' ' W' ' 546' ' ' PHE . 0.9 OUTLIER -146.37 149.6 34.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.603 -0.726 . . . . 99.989999999999995 110.537 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' W' W ' 539' ' ' VAL . . . . . 0.426 ' CG2' HG23 ' W' ' 545' ' ' THR . 19.7 t -79.41 137.56 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.339 -0.391 . . . . 99.989999999999995 111.098 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' W' W ' 540' ' ' ALA . . . . . 0.476 ' CB ' ' CE1' ' W' ' 546' ' ' PHE . . . -110.03 170.93 4.82 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 99.989999999999995 111.311 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' W' W ' 541' ' ' PRO . . . . . 0.434 ' HD2' ' CB ' ' W' ' 540' ' ' ALA . 60.8 Cg_endo -73.3 -23.23 17.95 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.651 2.234 . . . . 99.989999999999995 112.06 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -51.82 -41.26 61.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.987 -0.551 . . . . 99.989999999999995 110.775 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 134.44 -11.24 4.66 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.599 -0.81 . . . . 99.989999999999995 112.964 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 544' ' ' ARG . . . . . 0.5 ' HG3' ' CE3' ' W' ' 557' ' ' TRP . 0.3 OUTLIER -130.75 156.65 44.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.879 0.371 . . . . 99.989999999999995 111.14 -179.848 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' W' W ' 545' ' ' THR . . . . . 0.426 HG23 ' CG2' ' W' ' 539' ' ' VAL . 2.0 p -79.59 146.83 32.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 99.989999999999995 111.117 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' W' W ' 546' ' ' PHE . . . . . 0.489 ' HB3' ' CZ3' ' W' ' 557' ' ' TRP . 9.1 p90 -126.29 153.54 44.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.111 -0.495 . . . . 99.989999999999995 110.918 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' W' W ' 547' ' ' PHE . . . . . 0.489 ' CD1' ' HB3' ' W' ' 537' ' ' MET . 1.9 m-85 -94.01 132.29 38.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.962 0.41 . . . . 99.989999999999995 110.952 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' W' W ' 548' ' ' ILE . . . . . 0.402 ' HB ' ' HB2' ' W' ' 536' ' ' SER . 3.4 mp -89.45 130.09 39.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.964 -0.562 . . . . 99.989999999999995 110.905 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' W' W ' 549' ' ' ASP . . . . . 0.488 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 38.1 t0 -107.47 109.7 21.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 99.989999999999995 110.777 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -84.94 -25.18 28.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 99.989999999999995 110.988 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -56.4 -42.07 77.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 99.989999999999995 111.009 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.46 -5.51 10.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 99.989999999999995 111.63 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 70.89 58.07 0.21 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.797 0.332 . . . . 99.989999999999995 110.892 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -144.26 -163.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 99.989999999999995 110.769 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 68.8 p -152.53 169.2 23.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 99.989999999999995 111.159 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 2.6 t -160.66 162.24 32.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.049 -0.523 . . . . 99.989999999999995 111.107 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 557' ' ' TRP . . . . . 0.5 ' CE3' ' HG3' ' W' ' 544' ' ' ARG . 14.7 m95 -83.59 -19.66 35.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.967 -0.561 . . . . 99.989999999999995 111.578 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' W' W ' 558' ' ' ILE . . . . . 0.422 HD12 HG23 ' W' ' 558' ' ' ILE . 4.9 mm -110.74 145.83 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.93 0.395 . . . . 99.989999999999995 111.434 -179.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' W' W ' 559' ' ' ASP . . . . . 0.488 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 9.7 p30 -82.81 145.51 50.4 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.044 -0.526 . . . . 99.989999999999995 111.298 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' W' W ' 560' ' ' PRO . . . . . 0.536 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 59.0 Cg_endo -91.55 10.94 2.55 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 122.991 2.461 . . . . 99.989999999999995 112.532 179.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.01 18.37 21.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.354 -0.384 . . . . 99.989999999999995 111.114 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 7.5 p30 177.61 -46.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.478 -0.328 . . . . 99.989999999999995 111.065 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 99.989999999999995 112.682 179.9 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.502 -0.239 . . . . 99.989999999999995 112.502 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' P' P ' 229' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.27 93.88 24.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.706 0.289 . . . . 99.989999999999995 110.884 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -58.95 102.66 0.15 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.564 2.176 . . . . 99.989999999999995 112.047 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 10.1 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 99.989999999999995 111.128 -179.831 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' W' W ' 531' ' ' LEU . . . . . 0.433 ' CD2' ' HG3' ' W' ' 537' ' ' MET . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.116 0 N-CA-C 110.27 -0.27 . . . . 99.989999999999995 110.27 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' W' W ' 532' ' ' PRO . . . . . 0.461 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 71.1 Cg_exo -49.71 -174.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.442 2.095 . . . . 99.989999999999995 113.17 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' W' W ' 533' ' ' PRO . . . . . 0.461 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 22.0 Cg_exo -68.1 -4.74 13.16 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 123.254 2.636 . . . . 99.989999999999995 115.232 -177.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' W' W ' 534' ' ' ARG . . . . . 0.427 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 27.2 mmt85 -149.93 42.37 0.86 Allowed 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 120.142 -0.623 . . . . 99.989999999999995 111.713 -179.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' W' W ' 535' ' ' TRP . . . . . 0.498 ' CE2' ' HG3' ' W' ' 560' ' ' PRO . 37.9 m95 -140.36 168.14 20.51 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.422 0.63 . . . . 99.989999999999995 112.549 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' W' W ' 536' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.14 -163.39 1.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.066 -0.97 . . . . 99.989999999999995 110.444 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' W' W ' 537' ' ' MET . . . . . 0.433 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 12.9 mtm -133.32 149.51 51.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.144 -0.48 . . . . 99.989999999999995 110.902 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' W' W ' 538' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -169.06 129.84 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 99.989999999999995 110.799 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 22.3 t -81.14 133.74 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 99.989999999999995 110.984 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 540' ' ' ALA . . . . . 0.49 ' HB1' ' CE1' ' W' ' 546' ' ' PHE . . . -104.07 151.49 38.98 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.025 -0.534 . . . . 99.989999999999995 111.194 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -59.46 -26.03 80.59 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.597 2.198 . . . . 99.989999999999995 111.688 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -49.63 -39.15 34.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.757 -0.656 . . . . 99.989999999999995 110.705 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 129.06 -6.1 6.41 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.919 -0.657 . . . . 99.989999999999995 112.739 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 544' ' ' ARG . . . . . 0.517 ' CD ' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.94 145.43 51.49 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.872 0.367 . . . . 99.989999999999995 111.118 -179.875 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.29 146.16 47.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.123 -0.49 . . . . 99.989999999999995 110.425 179.306 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' W' W ' 546' ' ' PHE . . . . . 0.49 ' CE1' ' HB1' ' W' ' 540' ' ' ALA . 14.0 p90 -122.01 159.21 27.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.329 -0.396 . . . . 99.989999999999995 111.092 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' W' W ' 547' ' ' PHE . . . . . 0.487 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.5 OUTLIER -103.3 125.73 50.09 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.88 -0.6 . . . . 99.989999999999995 111.264 -179.674 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' W' W ' 548' ' ' ILE . . . . . 0.453 ' O ' ' CE3' ' W' ' 535' ' ' TRP . 3.1 mt -83.74 149.48 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 CA-C-N 115.257 -0.883 . . . . 99.989999999999995 110.753 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -127.31 106.27 9.1 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.255 -0.884 . . . . 99.989999999999995 111.165 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -75.99 -26.1 56.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 99.989999999999995 110.791 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -52.16 -32.65 36.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.201 -0.454 . . . . 99.989999999999995 110.657 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.6 13.36 2.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.806 -0.634 . . . . 99.989999999999995 111.166 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 9.0 mmt85 52.4 63.32 2.29 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.669 0.271 . . . . 99.989999999999995 111.023 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 29.2 mtp85 -147.15 -167.23 2.72 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.821 0.343 . . . . 99.989999999999995 111.456 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 81.7 p -143.88 -175.8 4.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 99.989999999999995 111.072 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -178.51 161.6 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 99.989999999999995 111.259 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' W' W ' 557' ' ' TRP . . . . . 0.517 ' CZ3' ' CD ' ' W' ' 544' ' ' ARG . 19.1 m95 -85.56 11.47 10.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 99.989999999999995 111.756 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.4 mm -130.19 149.43 33.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.976 0.417 . . . . 99.989999999999995 111.697 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 559' ' ' ASP . . . . . 0.467 ' HB3' ' CD1' ' W' ' 547' ' ' PHE . 2.0 p30 -105.56 118.88 54.43 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.836 -0.62 . . . . 99.989999999999995 110.987 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' W' W ' 560' ' ' PRO . . . . . 0.498 ' HG3' ' CE2' ' W' ' 535' ' ' TRP . 9.0 Cg_endo -52.93 -35.25 70.25 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.23 1.953 . . . . 99.989999999999995 112.016 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -31.47 11.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 99.989999999999995 110.975 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' W' W ' 562' ' ' ASN . . . . . 0.42 ' ND2' ' OD1' ' W' ' 559' ' ' ASP . 4.4 m-80 -131.86 -66.03 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 99.989999999999995 110.854 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.812 -0.708 . . . . 99.989999999999995 112.363 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.729 -0.149 . . . . 99.989999999999995 112.729 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' P' P ' 229' ' ' LEU . . . . . 0.474 ' HB2' ' CZ2' ' W' ' 557' ' ' TRP . 13.8 tp -113.02 82.02 5.04 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.69 0.281 . . . . 99.989999999999995 111.003 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_exo -44.34 100.8 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.624 2.216 . . . . 99.989999999999995 112.306 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 99.989999999999995 111.265 -179.762 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' W' W ' 531' ' ' LEU . . . . . 0.439 ' CD1' ' HA ' ' W' ' 536' ' ' SER . 4.3 mt . . . . . 0 CA--C 1.529 0.165 0 N-CA-C 110.421 -0.214 . . . . 99.989999999999995 110.421 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 532' ' ' PRO . . . . . 0.466 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 71.1 Cg_exo -49.76 -174.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.525 2.15 . . . . 99.989999999999995 113.348 -179.217 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 533' ' ' PRO . . . . . 0.466 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 24.6 Cg_exo -66.41 -12.84 37.38 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.323 2.682 . . . . 99.989999999999995 115.208 -178.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 534' ' ' ARG . . . . . 0.436 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 19.7 mmt85 -142.84 44.13 1.59 Allowed 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 120.261 -0.576 . . . . 99.989999999999995 111.825 -178.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 535' ' ' TRP . . . . . 0.503 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 43.0 m95 -140.94 167.89 21.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.337 0.589 . . . . 99.989999999999995 112.531 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 536' ' ' SER . . . . . 0.439 ' HA ' ' CD1' ' W' ' 531' ' ' LEU . 0.1 OUTLIER -146.54 -157.31 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.294 -0.867 . . . . 99.989999999999995 110.43 -179.893 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' W' W ' 537' ' ' MET . . . . . 0.43 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 28.2 mtm -147.36 144.38 28.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.842 0.353 . . . . 99.989999999999995 110.918 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 538' ' ' GLN . . . . . 0.404 ' O ' ' CD1' ' W' ' 546' ' ' PHE . 1.9 tp-100 -165.62 133.35 2.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.33 -0.395 . . . . 99.989999999999995 111.136 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 2.8 t -82.08 135.58 24.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 99.989999999999995 110.687 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 540' ' ' ALA . . . . . 0.43 ' CB ' ' CE1' ' W' ' 546' ' ' PHE . . . -108.89 158.59 33.75 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.274 -0.421 . . . . 99.989999999999995 111.286 -179.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.12 -21.76 62.43 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.479 2.12 . . . . 99.989999999999995 111.829 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -49.63 -43.4 46.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.539 . . . . 99.989999999999995 110.833 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 137.91 -14.09 3.59 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.672 -0.775 . . . . 99.989999999999995 112.688 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 544' ' ' ARG . . . . . 0.487 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.58 157.11 44.49 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.993 0.425 . . . . 99.989999999999995 111.272 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.09 146.15 33.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.849 -0.614 . . . . 99.989999999999995 110.224 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 546' ' ' PHE . . . . . 0.484 ' HB3' ' CZ3' ' W' ' 557' ' ' TRP . 9.2 p90 -118.06 173.23 6.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.024 0.44 . . . . 99.989999999999995 111.33 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 547' ' ' PHE . . . . . 0.483 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.6 OUTLIER -116.42 127.49 54.65 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.812 -0.631 . . . . 99.989999999999995 111.196 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' W' W ' 548' ' ' ILE . . . . . 0.444 ' O ' ' CE3' ' W' ' 535' ' ' TRP . 2.7 mp -87.22 145.74 7.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.277 -0.874 . . . . 99.989999999999995 110.443 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -122.9 109.12 13.75 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.615 -0.72 . . . . 99.989999999999995 110.954 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -73.18 -32.46 64.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 99.989999999999995 110.973 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -49.78 -48.16 50.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 99.989999999999995 111.016 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.5 -1.95 14.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.005 -0.543 . . . . 99.989999999999995 111.606 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 62.89 62.53 1.04 Allowed 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.661 0.267 . . . . 99.989999999999995 110.911 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -150.32 -167.52 2.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.017 0.436 . . . . 99.989999999999995 111.275 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 555' ' ' THR . . . . . 0.422 ' OG1' ' CD1' ' P' ' 229' ' ' LEU . 37.5 p -140.77 176.56 8.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.022 -0.536 . . . . 99.989999999999995 111.022 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -170.29 165.87 8.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 99.989999999999995 111.433 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 557' ' ' TRP . . . . . 0.487 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 20.0 m95 -92.09 19.55 6.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.033 -0.53 . . . . 99.989999999999995 111.308 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 558' ' ' ILE . . . . . 0.477 HD11 HG22 ' W' ' 558' ' ' ILE . 5.3 mm -132.55 149.48 32.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.977 0.418 . . . . 99.989999999999995 111.646 -179.1 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 559' ' ' ASP . . . . . 0.458 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 12.3 p30 -104.53 113.4 65.08 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.922 -0.581 . . . . 99.989999999999995 110.811 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 560' ' ' PRO . . . . . 0.503 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 5.3 Cg_endo -50.91 -26.92 19.33 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.286 1.991 . . . . 99.989999999999995 112.278 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 561' ' ' ARG . . . . . 0.424 ' CG ' ' HB2' ' W' ' 559' ' ' ASP . 0.3 OUTLIER -61.97 -23.2 66.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.136 -0.484 . . . . 99.989999999999995 110.995 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' W' W ' 562' ' ' ASN . . . . . 0.413 ' ND2' ' OD2' ' W' ' 559' ' ' ASP . 5.5 m-20 -132.99 -60.14 0.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.369 -0.378 . . . . 99.989999999999995 110.716 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.79 -0.719 . . . . 99.989999999999995 112.597 179.938 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.522 -0.231 . . . . 99.989999999999995 112.522 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' P' P ' 229' ' ' LEU . . . . . 0.486 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 1.7 tm? -99.0 106.55 38.74 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.541 0.21 . . . . 99.989999999999995 110.874 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -70.16 109.3 2.35 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.638 2.225 . . . . 99.989999999999995 111.912 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 88.1 p . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.245 -0.434 . . . . 99.989999999999995 110.966 -179.73 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' W' W ' 531' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 CA--C 1.531 0.225 0 N-CA-C 110.329 -0.249 . . . . 99.989999999999995 110.329 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' W' W ' 532' ' ' PRO . . . . . 0.467 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 75.7 Cg_exo -49.64 -174.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.483 2.122 . . . . 99.989999999999995 113.397 -179.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' W' W ' 533' ' ' PRO . . . . . 0.467 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 23.8 Cg_exo -67.36 -12.66 36.62 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.45 2.767 . . . . 99.989999999999995 115.122 -178.082 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' W' W ' 534' ' ' ARG . . . . . 0.438 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 24.3 mmt180 -141.89 42.05 1.69 Allowed 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 120.341 -0.544 . . . . 99.989999999999995 111.754 -178.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' W' W ' 535' ' ' TRP . . . . . 0.511 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 39.6 m95 -140.59 169.1 18.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.272 0.558 . . . . 99.989999999999995 112.337 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' W' W ' 536' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.12 -159.37 1.02 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.283 -0.871 . . . . 99.989999999999995 110.65 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' W' W ' 537' ' ' MET . . . . . . . . . . . . . 15.8 mtp -144.32 140.8 29.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 99.989999999999995 110.634 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' W' W ' 538' ' ' GLN . . . . . 0.465 ' O ' ' CD1' ' W' ' 546' ' ' PHE . 46.0 tt0 -165.71 136.27 3.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.447 -0.342 . . . . 99.989999999999995 111.237 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 4.8 t -84.39 127.32 39.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 99.989999999999995 110.745 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' W' W ' 540' ' ' ALA . . . . . 0.486 ' HB1' ' CE1' ' W' ' 546' ' ' PHE . . . -92.81 151.44 40.84 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 99.989999999999995 111.428 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' W' W ' 541' ' ' PRO . . . . . 0.409 ' HD2' ' CG ' ' P' ' 230' ' ' PRO . 19.7 Cg_endo -58.3 -22.64 58.7 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.547 2.165 . . . . 99.989999999999995 111.78 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -54.56 -29.95 52.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.946 -0.57 . . . . 99.989999999999995 110.685 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 120.55 -4.36 12.03 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.765 -0.731 . . . . 99.989999999999995 113.005 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' W' W ' 544' ' ' ARG . . . . . 0.491 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.7 OUTLIER -131.18 157.01 44.34 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.012 0.434 . . . . 99.989999999999995 111.18 -179.862 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.38 146.5 27.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.896 -0.593 . . . . 99.989999999999995 110.661 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' W' W ' 546' ' ' PHE . . . . . 0.486 ' CE1' ' HB1' ' W' ' 540' ' ' ALA . 5.3 p90 -121.6 -179.36 4.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.012 0.434 . . . . 99.989999999999995 111.233 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' W' W ' 547' ' ' PHE . . . . . 0.48 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.5 OUTLIER -124.17 118.84 27.78 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 115.833 -0.622 . . . . 99.989999999999995 110.677 179.762 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' W' W ' 548' ' ' ILE . . . . . 0.433 ' O ' ' CE3' ' W' ' 535' ' ' TRP . 3.2 mt -79.93 147.06 6.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.423 -0.808 . . . . 99.989999999999995 110.395 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -126.87 115.76 19.8 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.612 -0.722 . . . . 99.989999999999995 110.877 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -81.39 -30.48 33.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 99.989999999999995 111.057 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -50.6 -37.57 40.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.374 -0.376 . . . . 99.989999999999995 110.877 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.11 -4.21 7.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 99.989999999999995 111.529 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 65.81 59.83 0.72 Allowed 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.637 0.256 . . . . 99.989999999999995 110.811 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 53.5 mtm180 -149.76 -166.8 2.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.406 -0.361 . . . . 99.989999999999995 111.257 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 53.2 p -143.76 178.72 7.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 99.989999999999995 111.142 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -171.89 166.12 6.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 99.989999999999995 111.342 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' W' W ' 557' ' ' TRP . . . . . 0.492 ' CE2' ' HB2' ' P' ' 229' ' ' LEU . 24.0 m95 -92.0 19.78 6.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.842 -0.617 . . . . 99.989999999999995 111.508 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' W' W ' 558' ' ' ILE . . . . . 0.448 HD12 HG21 ' W' ' 558' ' ' ILE . 5.7 mm -133.26 141.8 43.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.048 0.451 . . . . 99.989999999999995 112.048 -178.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' W' W ' 559' ' ' ASP . . . . . 0.421 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 3.4 m-20 -91.82 110.1 41.42 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.65 -0.704 . . . . 99.989999999999995 110.79 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' W' W ' 560' ' ' PRO . . . . . 0.511 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 5.2 Cg_endo -51.5 -25.76 20.1 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.073 1.849 . . . . 99.989999999999995 111.832 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -22.25 66.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.715 -0.675 . . . . 99.989999999999995 110.918 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -138.51 -69.21 0.44 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.35 -0.386 . . . . 99.989999999999995 110.665 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' W' W ' 563' ' ' GLY . . . . . 0.427 ' HA2' ' CG2' ' W' ' 558' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.798 -0.715 . . . . 99.989999999999995 112.51 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.577 -0.209 . . . . 99.989999999999995 112.577 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' P' P ' 229' ' ' LEU . . . . . 0.492 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 0.9 OUTLIER -101.75 104.37 34.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.501 0.191 . . . . 99.989999999999995 111.03 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' P' P ' 230' ' ' PRO . . . . . 0.409 ' CG ' ' HD2' ' W' ' 541' ' ' PRO . 22.7 Cg_exo -64.08 96.05 0.21 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.43 2.087 . . . . 99.989999999999995 111.698 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 16.5 p . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 99.989999999999995 111.478 -179.526 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' W' W ' 531' ' ' LEU . . . . . 0.445 ' CD1' ' HA ' ' W' ' 536' ' ' SER . 3.9 mt . . . . . 0 C--O 1.231 0.1 0 N-CA-C 110.107 -0.331 . . . . 99.989999999999995 110.107 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' W' W ' 532' ' ' PRO . . . . . 0.475 ' HB2' ' CD1' ' W' ' 535' ' ' TRP . 77.4 Cg_exo -49.69 -176.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.329 2.02 . . . . 99.989999999999995 112.942 -179.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' W' W ' 533' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 19.0 Cg_exo -70.03 -2.47 10.43 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 123.26 2.64 . . . . 99.989999999999995 115.142 -177.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' W' W ' 534' ' ' ARG . . . . . 0.431 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 16.2 mmt180 -150.5 39.52 0.73 Allowed 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 120.089 -0.645 . . . . 99.989999999999995 111.709 -179.142 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' W' W ' 535' ' ' TRP . . . . . 0.516 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 31.9 m95 -138.82 169.66 17.4 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.729 0.64 . . . . 99.989999999999995 112.729 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' W' W ' 536' ' ' SER . . . . . 0.445 ' HA ' ' CD1' ' W' ' 531' ' ' LEU . 0.1 OUTLIER -144.12 -158.5 0.89 Allowed 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 114.962 -1.017 . . . . 99.989999999999995 110.44 -179.884 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' W' W ' 537' ' ' MET . . . . . 0.426 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 34.5 mtp -143.5 145.75 32.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.41 -0.359 . . . . 99.989999999999995 110.607 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' W' W ' 538' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -169.2 134.1 1.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 99.989999999999995 111.408 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 11.7 t -85.67 125.62 40.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.09 -0.504 . . . . 99.989999999999995 110.577 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' W' W ' 540' ' ' ALA . . . . . 0.404 ' HB3' ' CE1' ' W' ' 546' ' ' PHE . . . -96.73 148.68 34.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.411 -0.358 . . . . 99.989999999999995 111.567 -179.203 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -56.69 -24.38 54.42 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.602 2.201 . . . . 99.989999999999995 111.723 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -48.09 -44.65 31.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.829 -0.623 . . . . 99.989999999999995 110.854 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 140.03 -16.32 3.01 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.78 -0.724 . . . . 99.989999999999995 112.722 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' W' W ' 544' ' ' ARG . . . . . 0.468 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -128.29 154.39 45.96 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.009 0.433 . . . . 99.989999999999995 111.253 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.14 144.75 42.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.755 -0.657 . . . . 99.989999999999995 110.411 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' W' W ' 546' ' ' PHE . . . . . 0.478 ' HB3' ' CZ3' ' W' ' 557' ' ' TRP . 13.0 p90 -119.97 162.6 18.93 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.217 -0.447 . . . . 99.989999999999995 110.915 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' W' W ' 547' ' ' PHE . . . . . 0.45 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.5 OUTLIER -109.35 127.45 54.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.948 -0.569 . . . . 99.989999999999995 111.148 -179.747 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' W' W ' 548' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' W' ' 535' ' ' TRP . 2.7 mp -86.74 143.88 10.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.306 -0.861 . . . . 99.989999999999995 110.366 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' W' W ' 549' ' ' ASP . . . . . 0.442 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 26.0 t70 -123.66 114.23 19.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.681 -0.691 . . . . 99.989999999999995 111.171 -179.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -78.76 -34.4 45.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 99.989999999999995 111.063 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -49.57 -36.37 23.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 99.989999999999995 111.014 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.64 -3.11 8.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.028 -0.533 . . . . 99.989999999999995 111.603 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 25.5 mmt85 61.26 58.83 2.08 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.734 0.302 . . . . 99.989999999999995 110.887 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -149.58 -171.22 3.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 99.989999999999995 111.209 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 43.0 p -141.59 174.69 10.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 99.989999999999995 111.242 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' W' W ' 556' ' ' THR . . . . . 0.4 ' CA ' HD11 ' P' ' 229' ' ' LEU . 9.3 t -168.69 168.22 10.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 99.989999999999995 111.279 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' W' W ' 557' ' ' TRP . . . . . 0.481 ' CE2' ' HB2' ' P' ' 229' ' ' LEU . 27.7 m95 -91.6 20.51 5.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.987 -0.552 . . . . 99.989999999999995 111.293 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.4 mm -133.23 139.18 49.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.042 0.449 . . . . 99.989999999999995 111.917 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' W' W ' 559' ' ' ASP . . . . . 0.431 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 3.2 m-20 -93.57 113.77 61.17 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.699 -0.682 . . . . 99.989999999999995 111.282 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' W' W ' 560' ' ' PRO . . . . . 0.516 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 7.7 Cg_endo -52.94 -25.9 29.61 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 121.936 1.757 . . . . 99.989999999999995 111.692 179.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.78 -26.39 67.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.853 -0.612 . . . . 99.989999999999995 110.593 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -134.3 -68.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 99.989999999999995 110.75 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.395 0 C-N-CA 120.812 -0.709 . . . . 99.989999999999995 112.464 -179.894 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.327 -0.309 . . . . 99.989999999999995 112.327 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' P' P ' 229' ' ' LEU . . . . . 0.481 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 3.5 tp -111.62 87.67 8.39 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.627 0.251 . . . . 99.989999999999995 110.977 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -51.54 101.22 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.316 2.01 . . . . 99.989999999999995 111.735 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 52.5 p . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.186 -0.461 . . . . 99.989999999999995 111.038 -179.626 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' W' W ' 531' ' ' LEU . . . . . 0.477 HD22 ' CZ ' ' W' ' 547' ' ' PHE . 2.2 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.548 0.213 . . . . 99.989999999999995 110.595 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' W' W ' 532' ' ' PRO . . . . . 0.465 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 75.2 Cg_exo -50.23 -174.23 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.415 2.077 . . . . 99.989999999999995 113.057 -179.542 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' W' W ' 533' ' ' PRO . . . . . 0.465 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 22.0 Cg_exo -68.77 -13.18 36.43 Favored 'Trans proline' 0 CA--C 1.518 -0.299 0 C-N-CA 123.313 2.675 . . . . 99.989999999999995 115.154 -178.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' W' W ' 534' ' ' ARG . . . . . 0.438 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 11.3 mmt180 -142.82 45.33 1.59 Allowed 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 120.263 -0.575 . . . . 99.989999999999995 111.788 -178.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' W' W ' 535' ' ' TRP . . . . . 0.505 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 38.5 m95 -141.8 169.54 17.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.211 0.529 . . . . 99.989999999999995 112.383 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' W' W ' 536' ' ' SER . . . . . 0.428 ' HA ' ' CD1' ' W' ' 531' ' ' LEU . 0.1 OUTLIER -145.81 -158.87 0.94 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.34 -0.846 . . . . 99.989999999999995 110.412 179.879 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' W' W ' 537' ' ' MET . . . . . 0.43 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 27.4 mtp -145.52 146.76 31.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.833 0.349 . . . . 99.989999999999995 110.958 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' W' W ' 538' ' ' GLN . . . . . 0.482 ' HG2' ' CZ ' ' W' ' 546' ' ' PHE . 41.2 tt0 -168.95 137.32 2.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.508 . . . . 99.989999999999995 110.961 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 31.8 t -85.88 130.35 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 99.989999999999995 110.86 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' W' W ' 540' ' ' ALA . . . . . 0.481 ' HB3' ' CE1' ' W' ' 546' ' ' PHE . . . -100.36 148.52 35.04 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.155 -0.475 . . . . 99.989999999999995 111.355 -179.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.11 -22.73 65.68 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.513 2.142 . . . . 99.989999999999995 111.547 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -49.5 -43.77 45.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.854 -0.612 . . . . 99.989999999999995 110.745 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 140.18 -14.19 3.03 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 99.989999999999995 112.692 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' W' W ' 544' ' ' ARG . . . . . 0.484 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.15 155.19 47.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.953 0.406 . . . . 99.989999999999995 111.235 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.08 146.4 35.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.969 -0.56 . . . . 99.989999999999995 110.097 179.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' W' W ' 546' ' ' PHE . . . . . 0.482 ' CZ ' ' HG2' ' W' ' 538' ' ' GLN . 5.9 p90 -119.11 166.03 13.42 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.043 0.449 . . . . 99.989999999999995 111.137 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' W' W ' 547' ' ' PHE . . . . . 0.489 ' CE2' ' HB3' ' W' ' 559' ' ' ASP . 0.3 OUTLIER -111.01 123.01 49.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.88 -0.6 . . . . 99.989999999999995 111.371 -179.463 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' W' W ' 548' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' W' ' 535' ' ' TRP . 3.1 mt -83.27 144.35 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 CA-C-N 115.393 -0.821 . . . . 99.989999999999995 110.371 179.52 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' W' W ' 549' ' ' ASP . . . . . 0.454 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 58.7 t0 -123.37 115.71 22.09 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.718 -0.674 . . . . 99.989999999999995 110.792 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -79.58 -29.65 41.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 99.989999999999995 110.847 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -52.28 -46.1 65.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 99.989999999999995 110.875 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.62 -4.77 13.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.051 -0.522 . . . . 99.989999999999995 111.513 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 65.02 49.45 2.06 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.782 0.325 . . . . 99.989999999999995 110.956 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 10.3 mtp85 -141.43 -172.45 3.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.325 -0.398 . . . . 99.989999999999995 110.963 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 52.8 p -135.87 -176.84 4.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.863 0.363 . . . . 99.989999999999995 111.432 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -174.48 166.1 3.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.91 -0.586 . . . . 99.989999999999995 111.157 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' W' W ' 557' ' ' TRP . . . . . 0.497 ' CE2' ' HB2' ' P' ' 229' ' ' LEU . 22.2 m95 -91.29 19.25 6.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.016 -0.538 . . . . 99.989999999999995 111.418 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 4.9 mm -132.5 140.21 48.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.001 0.429 . . . . 99.989999999999995 111.826 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' W' W ' 559' ' ' ASP . . . . . 0.489 ' HB3' ' CE2' ' W' ' 547' ' ' PHE . 21.5 p30 -94.06 110.78 50.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.756 -0.656 . . . . 99.989999999999995 110.882 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' W' W ' 560' ' ' PRO . . . . . 0.505 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 5.0 Cg_endo -50.89 -31.36 33.52 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.212 1.942 . . . . 99.989999999999995 112.217 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.13 -22.39 28.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 99.989999999999995 111.015 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' W' W ' 562' ' ' ASN . . . . . 0.42 ' ND2' ' OD2' ' W' ' 559' ' ' ASP . 3.3 m-20 -136.63 -65.6 0.55 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.858 0.361 . . . . 99.989999999999995 110.906 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 99.989999999999995 112.534 -179.92 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.562 -0.215 . . . . 99.989999999999995 112.562 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' P' P ' 229' ' ' LEU . . . . . 0.497 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 1.0 OUTLIER -110.17 91.48 11.46 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.732 0.301 . . . . 99.989999999999995 111.026 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' P' P ' 230' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' W' ' 540' ' ' ALA . 76.9 Cg_exo -49.48 91.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.54 2.16 . . . . 99.989999999999995 111.776 179.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 99.989999999999995 111.403 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' W' W ' 531' ' ' LEU . . . . . 0.443 ' CD2' ' HG3' ' W' ' 537' ' ' MET . 4.0 mt . . . . . 0 C--O 1.231 0.126 0 N-CA-C 109.753 -0.462 . . . . 99.989999999999995 109.753 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' W' W ' 532' ' ' PRO . . . . . 0.483 ' HB2' ' CD1' ' W' ' 535' ' ' TRP . 74.6 Cg_exo -49.72 -176.76 0.01 OUTLIER 'Trans proline' 0 CA--C 1.53 0.309 0 C-N-CA 122.322 2.015 . . . . 99.989999999999995 113.31 -178.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' W' W ' 533' ' ' PRO . . . . . 0.419 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 19.1 Cg_exo -70.01 -2.99 11.28 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 123.472 2.781 . . . . 99.989999999999995 115.159 -177.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' W' W ' 534' ' ' ARG . . . . . 0.439 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 5.7 mmt180 -149.85 40.08 0.8 Allowed 'General case' 0 C--N 1.314 -0.939 0 C-N-CA 120.23 -0.588 . . . . 99.989999999999995 111.511 -179.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' W' W ' 535' ' ' TRP . . . . . 0.488 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 30.1 m95 -140.22 169.29 17.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.391 0.615 . . . . 99.989999999999995 112.467 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' W' W ' 536' ' ' SER . . . . . 0.435 ' HA ' ' CD1' ' W' ' 531' ' ' LEU . 0.2 OUTLIER -146.29 -160.87 1.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.077 -0.965 . . . . 99.989999999999995 110.291 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' W' W ' 537' ' ' MET . . . . . 0.443 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 37.2 mtp -142.29 136.78 30.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.194 -0.457 . . . . 99.989999999999995 110.67 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' W' W ' 538' ' ' GLN . . . . . 0.475 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 1.4 tp60 -159.61 129.07 5.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.357 -0.383 . . . . 99.989999999999995 111.122 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' W' W ' 539' ' ' VAL . . . . . 0.457 ' CG2' ' CG2' ' W' ' 545' ' ' THR . 21.4 t -79.45 131.51 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 99.989999999999995 110.707 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' W' W ' 540' ' ' ALA . . . . . 0.481 ' HB1' ' CE1' ' W' ' 546' ' ' PHE . . . -99.21 151.9 37.58 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 99.989999999999995 111.207 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -60.85 -23.49 76.96 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.458 2.105 . . . . 99.989999999999995 111.41 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -48.77 -38.89 23.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.713 -0.676 . . . . 99.989999999999995 110.703 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 132.3 -11.23 5.29 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.785 -0.722 . . . . 99.989999999999995 112.645 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' W' W ' 544' ' ' ARG . . . . . 0.477 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.2 156.34 45.51 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.988 0.423 . . . . 99.989999999999995 111.136 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' W' W ' 545' ' ' THR . . . . . 0.457 ' CG2' ' CG2' ' W' ' 539' ' ' VAL . 0.6 OUTLIER -83.12 146.46 28.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.874 -0.603 . . . . 99.989999999999995 110.517 179.628 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' W' W ' 546' ' ' PHE . . . . . 0.481 ' CE1' ' HB1' ' W' ' 540' ' ' ALA . 5.3 p90 -119.38 -178.4 3.59 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.177 -0.465 . . . . 99.989999999999995 110.88 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' W' W ' 547' ' ' PHE . . . . . 0.486 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.5 OUTLIER -124.48 124.17 41.72 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 115.974 -0.557 . . . . 99.989999999999995 110.886 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' W' W ' 548' ' ' ILE . . . . . 0.42 ' O ' ' HA ' ' W' ' 535' ' ' TRP . 2.9 mp -85.1 146.52 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 CA-C-N 115.363 -0.835 . . . . 99.989999999999995 110.553 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -123.76 113.02 18.02 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.545 -0.752 . . . . 99.989999999999995 110.813 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' W' W ' 550' ' ' HIS . . . . . 0.413 ' CD2' ' N ' ' W' ' 550' ' ' HIS . 6.9 m170 -77.99 -32.11 51.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 99.989999999999995 111.027 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -48.56 -41.75 31.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.299 -0.41 . . . . 99.989999999999995 111.129 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.65 1.68 9.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 99.989999999999995 111.531 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 60.63 60.79 1.85 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.777 0.323 . . . . 99.989999999999995 110.941 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 49.9 mtm180 -146.89 -167.04 2.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 99.989999999999995 110.723 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 63.6 p -146.05 178.74 7.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.829 0.347 . . . . 99.989999999999995 110.931 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -171.75 164.13 6.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 99.989999999999995 111.318 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' W' W ' 557' ' ' TRP . . . . . 0.482 ' CE2' ' HB2' ' P' ' 229' ' ' LEU . 20.6 m95 -87.89 16.53 5.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.002 -0.545 . . . . 99.989999999999995 111.539 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.0 mm -128.58 142.4 44.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.057 0.456 . . . . 99.989999999999995 111.686 -178.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' W' W ' 559' ' ' ASP . . . . . 0.462 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 1.3 m-20 -98.84 110.68 58.33 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.686 -0.688 . . . . 99.989999999999995 110.97 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' W' W ' 560' ' ' PRO . . . . . 0.488 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 3.3 Cg_endo -49.32 -34.33 31.62 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.88 1.72 . . . . 99.989999999999995 111.263 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.7 -28.37 33.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.756 -0.656 . . . . 99.989999999999995 110.587 179.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -130.07 -68.12 0.72 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 99.989999999999995 111.045 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.713 -0.756 . . . . 99.989999999999995 112.424 -179.942 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.53 -0.228 . . . . 99.989999999999995 112.53 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' P' P ' 229' ' ' LEU . . . . . 0.482 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 0.5 OUTLIER -109.51 81.26 1.77 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.617 0.246 . . . . 99.989999999999995 111.351 -179.891 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -43.43 100.48 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.419 2.079 . . . . 99.989999999999995 111.749 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 115.981 -0.554 . . . . 99.989999999999995 111.268 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' W' W ' 531' ' ' LEU . . . . . 0.409 ' CD2' ' HG3' ' W' ' 537' ' ' MET . 10.0 mt . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 120.452 0.167 . . . . 99.989999999999995 110.564 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' W' W ' 532' ' ' PRO . . . . . 0.477 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 23.3 Cg_exo -41.45 170.94 0.01 OUTLIER 'Trans proline' 0 CA--C 1.534 0.486 0 C-N-CA 123.269 2.646 . . . . 99.989999999999995 113.307 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' W' W ' 533' ' ' PRO . . . . . 0.477 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 35.9 Cg_exo -31.52 -62.61 0.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 123.871 3.047 . . . . 99.989999999999995 115.03 -178.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' W' W ' 534' ' ' ARG . . . . . 0.476 ' O ' ' CG ' ' W' ' 535' ' ' TRP . 10.1 mmm180 -116.82 70.73 0.78 Allowed 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.853 -0.612 . . . . 99.989999999999995 111.343 -178.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' W' W ' 535' ' ' TRP . . . . . 0.51 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 96.3 m95 -159.81 153.7 23.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.072 -0.513 . . . . 99.989999999999995 111.818 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' W' W ' 536' ' ' SER . . . . . . . . . . . . . 3.5 m -154.84 -174.35 4.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.804 -0.635 . . . . 99.989999999999995 110.829 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' W' W ' 537' ' ' MET . . . . . 0.409 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 3.9 mtm -124.26 150.18 45.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.996 -0.547 . . . . 99.989999999999995 110.74 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' W' W ' 538' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -168.09 141.62 3.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.339 -0.391 . . . . 99.989999999999995 111.076 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 12.9 p -87.52 136.98 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 99.989999999999995 110.82 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' W' W ' 540' ' ' ALA . . . . . 0.449 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -109.02 157.09 37.92 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 99.989999999999995 111.241 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -62.0 -30.43 83.15 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.64 2.227 . . . . 99.989999999999995 111.879 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -48.99 -34.23 12.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.948 -0.569 . . . . 99.989999999999995 110.906 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 124.8 -3.92 8.57 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.654 -0.784 . . . . 99.989999999999995 113.2 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' W' W ' 544' ' ' ARG . . . . . 0.511 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 2.4 ptt180 -130.84 152.21 50.43 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 117.036 0.418 . . . . 99.989999999999995 111.153 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.64 146.88 32.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 99.989999999999995 111.048 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' W' W ' 546' ' ' PHE . . . . . 0.503 ' HB3' ' CZ3' ' W' ' 557' ' ' TRP . 23.0 p90 -128.96 168.7 15.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.078 -0.51 . . . . 99.989999999999995 111.015 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' W' W ' 547' ' ' PHE . . . . . 0.486 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.9 OUTLIER -102.62 150.71 23.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.966 -0.561 . . . . 99.989999999999995 110.377 179.176 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' W' W ' 548' ' ' ILE . . . . . . . . . . . . . 4.7 mt -107.41 109.42 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.32 -0.4 . . . . 99.989999999999995 112.016 -179.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' W' W ' 549' ' ' ASP . . . . . 0.474 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 17.1 t70 -83.18 105.8 14.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.987 -0.551 . . . . 99.989999999999995 110.89 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' W' W ' 550' ' ' HIS . . . . . 0.4 ' HB2' ' HB3' ' W' ' 534' ' ' ARG . 22.4 m-70 -75.03 -26.05 59.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 99.989999999999995 110.794 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -53.34 -34.01 55.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 99.989999999999995 111.01 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.91 18.53 3.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 99.989999999999995 111.279 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? 49.15 49.32 19.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.849 0.357 . . . . 99.989999999999995 111.034 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -126.58 -176.72 3.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 99.989999999999995 110.96 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 20.0 p -135.57 170.69 15.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 99.989999999999995 111.1 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -165.94 157.99 14.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.368 . . . . 99.989999999999995 111.256 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' W' W ' 557' ' ' TRP . . . . . 0.511 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 16.8 m95 -84.31 11.86 7.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.096 -0.502 . . . . 99.989999999999995 112.072 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' W' W ' 558' ' ' ILE . . . . . 0.427 HG22 ' N ' ' W' ' 559' ' ' ASP . 4.9 mm -132.1 156.29 42.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.891 0.377 . . . . 99.989999999999995 111.673 -179.088 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' W' W ' 559' ' ' ASP . . . . . 0.472 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 2.5 p30 -114.66 134.05 22.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.925 -0.58 . . . . 99.989999999999995 111.178 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' W' W ' 560' ' ' PRO . . . . . 0.51 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 45.2 Cg_endo -72.38 -3.05 12.67 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.446 2.097 . . . . 99.989999999999995 112.702 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' W' W ' 561' ' ' ARG . . . . . 0.43 ' HG2' ' CD ' ' W' ' 532' ' ' PRO . 7.1 mtm180 -80.85 -34.75 33.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.016 0.436 . . . . 99.989999999999995 110.239 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -129.03 -43.42 1.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.787 -0.642 . . . . 99.989999999999995 110.572 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.441 0 C-N-CA 120.92 -0.657 . . . . 99.989999999999995 112.306 -179.867 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.513 -0.235 . . . . 99.989999999999995 112.513 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' P' P ' 229' ' ' LEU . . . . . . . . . . . . . 6.4 tp -96.12 110.43 52.08 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.463 0.173 . . . . 99.989999999999995 110.948 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.68 -150.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.442 2.095 . . . . 99.989999999999995 111.575 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.328 -0.354 0 C-N-CA 120.984 -0.286 . . . . 99.989999999999995 111.412 179.856 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' W' W ' 531' ' ' LEU . . . . . 0.524 ' CD2' ' CE2' ' W' ' 547' ' ' PHE . 2.1 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.587 0.232 . . . . 99.989999999999995 110.631 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' W' W ' 532' ' ' PRO . . . . . 0.453 ' HG2' ' HG2' ' W' ' 560' ' ' PRO . 70.9 Cg_exo -50.35 -178.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.668 2.246 . . . . 99.989999999999995 113.359 -179.479 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' W' W ' 533' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 37.7 Cg_exo -54.41 -29.38 58.52 Favored 'Trans proline' 0 CA--C 1.516 -0.383 0 C-N-CA 123.446 2.764 . . . . 99.989999999999995 114.961 -178.498 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' W' W ' 534' ' ' ARG . . . . . . . . . . . . . 13.9 mmm-85 -132.3 53.32 2.01 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 112.206 0.447 . . . . 99.989999999999995 112.206 -178.104 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' W' W ' 535' ' ' TRP . . . . . 0.527 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 58.2 m95 -144.72 161.35 39.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.253 0.549 . . . . 99.989999999999995 112.399 179.681 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' W' W ' 536' ' ' SER . . . . . 0.434 ' HA ' ' CD1' ' W' ' 531' ' ' LEU . 1.2 m -150.74 -171.37 3.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.304 -0.862 . . . . 99.989999999999995 110.23 -179.85 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' W' W ' 537' ' ' MET . . . . . . . . . . . . . 45.6 mtm -134.76 148.32 50.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.273 -0.421 . . . . 99.989999999999995 110.748 179.846 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' W' W ' 538' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -164.19 151.59 12.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 99.989999999999995 111.011 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 8.0 t -99.02 132.06 45.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 99.989999999999995 110.761 179.749 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' W' W ' 540' ' ' ALA . . . . . 0.421 ' HB3' ' CD1' ' W' ' 546' ' ' PHE . . . -105.21 165.25 13.51 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 99.989999999999995 111.16 -179.654 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -66.11 -24.34 52.07 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.555 2.17 . . . . 99.989999999999995 111.687 179.667 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' W' W ' 542' ' ' ASN . . . . . 0.454 ' ND2' ' NE ' ' W' ' 544' ' ' ARG . 53.9 t30 -51.73 -25.72 7.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.88 -0.6 . . . . 99.989999999999995 110.726 179.698 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 114.4 -7.48 22.73 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 99.989999999999995 113.012 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' W' W ' 544' ' ' ARG . . . . . 0.498 ' HG3' ' CE3' ' W' ' 557' ' ' TRP . 9.0 ptp180 -131.04 158.44 40.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.999 0.399 . . . . 99.989999999999995 111.201 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.86 146.73 27.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.971 -0.559 . . . . 99.989999999999995 110.827 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' W' W ' 546' ' ' PHE . . . . . 0.494 ' HB3' ' CZ3' ' W' ' 557' ' ' TRP . 3.8 p90 -119.5 173.57 6.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.293 -0.412 . . . . 99.989999999999995 111.304 -179.907 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' W' W ' 547' ' ' PHE . . . . . 0.524 ' CE2' ' CD2' ' W' ' 531' ' ' LEU . 2.2 m-85 -112.87 123.53 50.52 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 121.294 0.569 . . . . 99.989999999999995 111.321 -179.886 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' W' W ' 548' ' ' ILE . . . . . 0.415 ' O ' ' HA ' ' W' ' 535' ' ' TRP . 4.5 mt -83.42 146.63 6.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.217 -0.902 . . . . 99.989999999999995 110.83 179.724 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -123.85 100.86 6.97 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.779 -0.646 . . . . 99.989999999999995 110.787 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -69.9 -24.57 63.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 99.989999999999995 111.05 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.36 -60.55 3.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 99.989999999999995 111.071 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.38 -1.38 41.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 99.989999999999995 111.646 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? 61.54 53.74 3.25 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.82 0.343 . . . . 99.989999999999995 110.81 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -137.9 179.14 6.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 99.989999999999995 111.027 -179.861 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 55.1 p -135.48 164.49 27.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.994 -0.548 . . . . 99.989999999999995 110.734 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' W' W ' 556' ' ' THR . . . . . 0.418 ' N ' HD12 ' P' ' 229' ' ' LEU . 2.8 t -161.06 165.47 29.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.967 0.413 . . . . 99.989999999999995 111.408 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' W' W ' 557' ' ' TRP . . . . . 0.498 ' CE3' ' HG3' ' W' ' 544' ' ' ARG . 12.1 m95 -91.84 8.26 38.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.95 -0.568 . . . . 99.989999999999995 111.814 -179.86 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' W' W ' 558' ' ' ILE . . . . . 0.439 HD11 HG21 ' W' ' 558' ' ' ILE . 5.4 mm -131.35 146.94 32.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.852 0.358 . . . . 99.989999999999995 111.095 -179.59 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' W' W ' 559' ' ' ASP . . . . . 0.502 ' CB ' ' CZ ' ' W' ' 547' ' ' PHE . 2.7 p30 -90.34 140.03 26.97 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.482 . . . . 99.989999999999995 111.231 -179.635 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' W' W ' 560' ' ' PRO . . . . . 0.527 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 45.4 Cg_endo -85.66 7.08 5.25 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.768 2.312 . . . . 99.989999999999995 112.594 179.484 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -83.5 -44.6 14.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.978 0.418 . . . . 99.989999999999995 110.446 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' W' W ' 562' ' ' ASN . . . . . 0.424 ' ND2' ' OD1' ' W' ' 559' ' ' ASP . 0.3 OUTLIER -141.32 19.44 2.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.948 -0.569 . . . . 99.989999999999995 111.193 179.681 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.282 0 C-N-CA 120.835 -0.698 . . . . 99.989999999999995 112.763 179.812 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.54 -0.224 . . . . 99.989999999999995 112.54 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' P' P ' 229' ' ' LEU . . . . . 0.455 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 0.4 OUTLIER -98.87 106.27 36.51 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.501 0.191 . . . . 99.989999999999995 110.801 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -58.69 -149.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.595 2.197 . . . . 99.989999999999995 112.071 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--N 1.33 -0.254 0 CA-C-O 120.903 0.383 . . . . 99.989999999999995 111.266 -179.775 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' W' W ' 531' ' ' LEU . . . . . 0.449 ' CD2' ' HG3' ' W' ' 537' ' ' MET . 4.3 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.636 0.255 . . . . 99.989999999999995 110.548 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' W' W ' 532' ' ' PRO . . . . . 0.471 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 71.1 Cg_exo -50.55 -174.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.659 2.239 . . . . 99.989999999999995 113.376 -179.176 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' W' W ' 533' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 16.7 Cg_exo -71.74 -5.18 16.53 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.552 2.835 . . . . 99.989999999999995 115.14 -177.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' W' W ' 534' ' ' ARG . . . . . 0.443 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 8.1 mmt85 -146.43 38.6 1.05 Allowed 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.201 -0.599 . . . . 99.989999999999995 111.664 -179.03 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' W' W ' 535' ' ' TRP . . . . . 0.514 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 33.7 m95 -140.07 169.02 18.46 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.612 0.597 . . . . 99.989999999999995 112.612 -179.657 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' W' W ' 536' ' ' SER . . . . . 0.443 ' HA ' ' CD1' ' W' ' 531' ' ' LEU . 0.1 OUTLIER -149.15 -159.02 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.186 -0.915 . . . . 99.989999999999995 110.336 -179.909 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' W' W ' 537' ' ' MET . . . . . 0.449 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 28.0 mtm -142.88 145.74 33.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.836 0.351 . . . . 99.989999999999995 110.997 179.929 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' W' W ' 538' ' ' GLN . . . . . 0.48 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 4.3 tp-100 -168.97 132.57 1.38 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.057 -0.519 . . . . 99.989999999999995 110.748 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' W' W ' 539' ' ' VAL . . . . . 0.403 HG23 ' CG2' ' W' ' 545' ' ' THR . 13.6 t -83.68 128.43 38.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.924 0.392 . . . . 99.989999999999995 110.941 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' W' W ' 540' ' ' ALA . . . . . 0.466 ' HB1' ' CE1' ' W' ' 546' ' ' PHE . . . -91.39 150.66 41.7 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 99.989999999999995 111.132 -179.794 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.01 -23.56 73.51 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.494 2.129 . . . . 99.989999999999995 111.753 179.571 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -52.99 -32.14 44.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.824 -0.625 . . . . 99.989999999999995 110.7 179.648 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 124.07 -4.81 9.0 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.791 -0.719 . . . . 99.989999999999995 113.163 179.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' W' W ' 544' ' ' ARG . . . . . 0.487 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.3 OUTLIER -131.24 153.07 49.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 117.008 0.404 . . . . 99.989999999999995 111.252 -179.846 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' W' W ' 545' ' ' THR . . . . . 0.403 ' CG2' HG23 ' W' ' 539' ' ' VAL . 0.4 OUTLIER -82.46 146.31 29.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.959 -0.564 . . . . 99.989999999999995 110.491 179.365 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' W' W ' 546' ' ' PHE . . . . . 0.48 ' CE1' ' O ' ' W' ' 538' ' ' GLN . 8.0 p90 -121.03 -177.74 3.57 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.026 0.441 . . . . 99.989999999999995 111.112 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' W' W ' 547' ' ' PHE . . . . . 0.464 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.8 OUTLIER -125.43 124.93 42.51 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 115.866 -0.606 . . . . 99.989999999999995 110.697 179.885 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' W' W ' 548' ' ' ILE . . . . . 0.448 ' O ' ' CE3' ' W' ' 535' ' ' TRP . 2.6 mp -86.28 149.53 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-N 115.173 -0.921 . . . . 99.989999999999995 110.474 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -127.51 118.72 24.53 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.486 -0.779 . . . . 99.989999999999995 110.98 -179.544 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' W' W ' 550' ' ' HIS . . . . . 0.432 ' CD2' ' N ' ' W' ' 550' ' ' HIS . 6.5 m170 -82.99 -29.62 28.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 99.989999999999995 110.99 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -48.8 -41.02 31.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.315 -0.402 . . . . 99.989999999999995 110.93 179.814 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.47 2.92 7.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.929 -0.578 . . . . 99.989999999999995 111.398 179.633 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 59.63 68.59 0.78 Allowed 'General case' 0 N--CA 1.456 -0.138 0 CA-C-O 120.741 0.305 . . . . 99.989999999999995 110.985 -179.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -154.03 -168.88 3.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.882 0.372 . . . . 99.989999999999995 111.306 -179.837 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 70.9 p -143.17 169.27 17.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.013 -0.539 . . . . 99.989999999999995 111.101 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' W' W ' 556' ' ' THR . . . . . 0.427 ' CA ' HD12 ' P' ' 229' ' ' LEU . 1.3 t -164.05 165.11 22.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.031 0.443 . . . . 99.989999999999995 111.397 179.846 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' W' W ' 557' ' ' TRP . . . . . 0.487 ' CE2' ' HB2' ' P' ' 229' ' ' LEU . 14.4 m95 -87.93 14.7 8.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.83 -0.623 . . . . 99.989999999999995 111.658 179.931 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' W' W ' 558' ' ' ILE . . . . . 0.431 ' CG2' ' HA2' ' W' ' 563' ' ' GLY . 5.3 mm -126.56 149.54 31.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.034 0.445 . . . . 99.989999999999995 112.077 -178.544 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' W' W ' 559' ' ' ASP . . . . . 0.425 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 2.1 m-20 -103.89 114.94 64.14 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.825 -0.625 . . . . 99.989999999999995 110.966 -179.725 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' W' W ' 560' ' ' PRO . . . . . 0.514 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 6.1 Cg_endo -52.06 -26.43 25.66 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.199 1.932 . . . . 99.989999999999995 111.902 179.859 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.98 -30.69 71.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 99.989999999999995 110.739 179.861 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -127.06 -68.57 0.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 99.989999999999995 110.832 179.771 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' W' W ' 563' ' ' GLY . . . . . 0.431 ' HA2' ' CG2' ' W' ' 558' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 99.989999999999995 112.488 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.678 -0.169 . . . . 99.989999999999995 112.678 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' P' P ' 229' ' ' LEU . . . . . 0.487 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 9.4 tp 67.29 66.61 0.63 Allowed Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 120.633 0.254 . . . . 99.989999999999995 111.043 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -51.99 125.81 18.32 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.352 2.035 . . . . 99.989999999999995 111.636 179.583 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.376 0 CA-C-O 121.096 0.474 . . . . 99.989999999999995 111.158 -179.609 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' W' W ' 531' ' ' LEU . . . . . 0.478 HD22 ' CZ ' ' W' ' 547' ' ' PHE . 3.0 mt . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.462 0.172 . . . . 99.989999999999995 110.565 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' W' W ' 532' ' ' PRO . . . . . 0.471 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 72.0 Cg_exo -50.18 -174.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.574 2.183 . . . . 99.989999999999995 113.296 -179.39 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' W' W ' 533' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 29.4 Cg_exo -64.91 -18.1 61.32 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.359 2.706 . . . . 99.989999999999995 115.131 -178.211 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' W' W ' 534' ' ' ARG . . . . . 0.434 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 82.6 mmt-85 -139.21 46.82 1.92 Allowed 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 120.43 -0.508 . . . . 99.989999999999995 112.018 -178.391 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' W' W ' 535' ' ' TRP . . . . . 0.508 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 45.0 m95 -142.88 168.54 19.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.171 0.51 . . . . 99.989999999999995 112.141 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' W' W ' 536' ' ' SER . . . . . 0.402 ' HA ' ' CD1' ' W' ' 531' ' ' LEU . 0.3 OUTLIER -147.52 -163.01 1.66 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.454 -0.793 . . . . 99.989999999999995 110.548 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' W' W ' 537' ' ' MET . . . . . 0.437 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 26.9 mtm -137.84 145.23 42.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.213 -0.449 . . . . 99.989999999999995 111.079 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' W' W ' 538' ' ' GLN . . . . . 0.44 ' O ' ' CD1' ' W' ' 546' ' ' PHE . 6.4 tp60 -165.33 128.39 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.044 -0.526 . . . . 99.989999999999995 110.747 179.799 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 42.6 t -80.54 125.03 39.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.431 . . . . 99.989999999999995 110.845 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' W' W ' 540' ' ' ALA . . . . . 0.465 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -92.44 141.53 24.9 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.099 -0.501 . . . . 99.989999999999995 111.15 -179.714 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.73 -22.58 45.26 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.552 2.168 . . . . 99.989999999999995 111.702 179.678 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' W' W ' 542' ' ' ASN . . . . . 0.435 ' ND2' ' NE ' ' W' ' 544' ' ' ARG . 49.8 t30 -51.79 -42.95 62.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.855 -0.611 . . . . 99.989999999999995 110.617 179.628 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 141.48 -13.39 2.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.593 -0.813 . . . . 99.989999999999995 113.059 179.744 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' W' W ' 544' ' ' ARG . . . . . 0.487 ' HG2' ' CE3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.15 149.97 52.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.942 0.401 . . . . 99.989999999999995 111.506 -179.87 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.73 146.31 46.52 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.9 -0.591 . . . . 99.989999999999995 110.55 179.478 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' W' W ' 546' ' ' PHE . . . . . 0.482 ' HB3' ' CZ3' ' W' ' 557' ' ' TRP . 11.7 p90 -121.96 151.29 40.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.295 -0.411 . . . . 99.989999999999995 110.905 179.848 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' W' W ' 547' ' ' PHE . . . . . 0.488 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.7 OUTLIER -99.78 125.33 45.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.278 0.561 . . . . 99.989999999999995 111.489 -179.571 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' W' W ' 548' ' ' ILE . . . . . 0.469 ' O ' ' CE3' ' W' ' 535' ' ' TRP . 2.8 mp -84.55 145.3 8.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.31 -0.859 . . . . 99.989999999999995 110.663 179.614 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' W' W ' 549' ' ' ASP . . . . . 0.491 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 28.0 t70 -122.95 115.36 21.8 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.598 -0.728 . . . . 99.989999999999995 111.072 -179.602 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' W' W ' 550' ' ' HIS . . . . . 0.418 ' CD2' ' N ' ' W' ' 550' ' ' HIS . 6.4 m170 -82.66 -27.69 31.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.274 -0.421 . . . . 99.989999999999995 110.736 179.776 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -52.43 -37.24 56.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 99.989999999999995 110.564 179.729 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.03 0.45 6.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.961 -0.563 . . . . 99.989999999999995 111.449 179.722 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 61.94 65.16 0.93 Allowed 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.631 0.253 . . . . 99.989999999999995 111.079 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -153.87 -166.98 2.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.817 0.342 . . . . 99.989999999999995 111.352 -179.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 77.3 p -142.84 177.31 8.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.326 -0.397 . . . . 99.989999999999995 111.24 -179.756 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -170.22 164.52 9.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 99.989999999999995 111.377 179.889 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' W' W ' 557' ' ' TRP . . . . . 0.488 ' CE2' ' HB2' ' P' ' 229' ' ' LEU . 22.0 m95 -89.62 18.75 5.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.904 -0.589 . . . . 99.989999999999995 111.464 179.803 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.7 mm -132.79 152.12 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.12 0.486 . . . . 99.989999999999995 112.104 -179.002 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' W' W ' 559' ' ' ASP . . . . . 0.471 ' OD2' ' CE1' ' W' ' 547' ' ' PHE . 0.5 OUTLIER -100.68 110.3 60.14 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.746 -0.661 . . . . 99.989999999999995 110.468 179.845 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' W' W ' 560' ' ' PRO . . . . . 0.508 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 2.4 Cg_endo -51.63 -29.86 34.37 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.089 1.859 . . . . 99.989999999999995 112.418 -179.415 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.12 -18.89 64.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.373 -0.376 . . . . 99.989999999999995 111.109 179.813 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -130.34 -66.13 0.78 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.843 0.354 . . . . 99.989999999999995 110.811 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' W' W ' 563' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' W' ' 559' ' ' ASP . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.898 -0.668 . . . . 99.989999999999995 112.375 -179.84 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 N-CA-C 112.695 -0.162 . . . . 99.989999999999995 112.695 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' P' P ' 229' ' ' LEU . . . . . 0.488 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 1.8 tp -90.81 108.85 30.63 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.461 0.172 . . . . 99.989999999999995 110.679 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -68.59 102.67 0.87 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.587 2.191 . . . . 99.989999999999995 111.972 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.081 -0.509 . . . . 99.989999999999995 110.861 -179.851 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' W' W ' 531' ' ' LEU . . . . . 0.483 HD22 ' CE2' ' W' ' 547' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.122 0 N-CA-C 109.842 -0.429 . . . . 99.989999999999995 109.842 . . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' W' W ' 532' ' ' PRO . . . . . 0.48 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 75.8 Cg_exo -49.85 -173.25 0.0 OUTLIER 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.558 2.172 . . . . 99.989999999999995 113.286 -179.155 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' W' W ' 533' ' ' PRO . . . . . 0.48 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 27.0 Cg_exo -64.29 -18.88 64.83 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.172 2.581 . . . . 99.989999999999995 115.251 -178.029 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' W' W ' 534' ' ' ARG . . . . . 0.433 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 26.0 mmt180 -140.29 51.44 1.68 Allowed 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 120.401 -0.52 . . . . 99.989999999999995 111.534 -178.75 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' W' W ' 535' ' ' TRP . . . . . 0.491 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 54.6 m95 -145.37 168.52 20.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.42 0.628 . . . . 99.989999999999995 112.49 -179.873 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' W' W ' 536' ' ' SER . . . . . . . . . . . . . 2.0 m -153.24 -171.81 4.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.013 -0.994 . . . . 99.989999999999995 109.795 179.746 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' W' W ' 537' ' ' MET . . . . . 0.433 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 0.0 OUTLIER -150.09 141.48 23.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.097 0.475 . . . . 99.989999999999995 111.617 -179.935 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' W' W ' 538' ' ' GLN . . . . . 0.471 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 0.3 OUTLIER -168.08 141.45 3.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.699 -0.682 . . . . 99.989999999999995 110.34 179.816 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 20.7 t -72.37 131.45 34.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.369 . . . . 99.989999999999995 111.125 -179.738 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' W' W ' 540' ' ' ALA . . . . . . . . . . . . . . . -90.74 166.52 18.92 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 99.989999999999995 111.137 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.03 -23.17 25.35 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.5 2.133 . . . . 99.989999999999995 112.047 179.837 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' W' W ' 542' ' ' ASN . . . . . 0.41 ' ND2' ' HD3' ' W' ' 544' ' ' ARG . 25.9 t30 -55.4 -41.23 72.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.027 -0.533 . . . . 99.989999999999995 110.863 179.899 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 138.51 -14.19 3.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.533 -0.842 . . . . 99.989999999999995 112.993 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' W' W ' 544' ' ' ARG . . . . . 0.534 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -126.38 157.97 37.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.965 0.412 . . . . 99.989999999999995 111.384 -179.87 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.51 146.87 31.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.795 -0.639 . . . . 99.989999999999995 111.309 -179.828 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' W' W ' 546' ' ' PHE . . . . . 0.471 ' CE1' ' O ' ' W' ' 538' ' ' GLN . 11.0 p90 -124.35 -174.58 3.04 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.067 -0.515 . . . . 99.989999999999995 111.232 -179.865 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' W' W ' 547' ' ' PHE . . . . . 0.489 ' CE2' ' HD2' ' W' ' 560' ' ' PRO . 1.1 m-85 -123.67 119.43 29.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.957 -0.565 . . . . 99.989999999999995 109.9 179.353 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' W' W ' 548' ' ' ILE . . . . . . . . . . . . . 2.4 mp -80.62 125.97 39.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.214 0.53 . . . . 99.989999999999995 111.302 -179.169 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' W' W ' 549' ' ' ASP . . . . . 0.471 ' OD2' ' CH2' ' W' ' 535' ' ' TRP . 0.2 OUTLIER -93.24 125.52 37.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.451 -0.795 . . . . 99.989999999999995 110.334 179.77 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -95.69 -34.79 11.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 99.989999999999995 111.292 -179.587 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -50.07 -39.34 41.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.345 -0.389 . . . . 99.989999999999995 111.181 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.99 3.23 7.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 99.989999999999995 111.744 179.896 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 34.1 mtt180 61.13 72.51 0.52 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.914 0.388 . . . . 99.989999999999995 110.871 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 45.7 mtt-85 -149.34 -164.07 1.94 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.102 -0.499 . . . . 99.989999999999995 110.968 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 46.5 p -150.9 140.23 21.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 99.989999999999995 111.456 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' W' W ' 556' ' ' THR . . . . . 0.413 ' HA ' ' CD1' ' P' ' 229' ' ' LEU . 15.4 t -133.6 162.79 30.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.995 -0.548 . . . . 99.989999999999995 110.983 179.488 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' W' W ' 557' ' ' TRP . . . . . 0.534 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 13.0 m95 -85.51 -39.85 17.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.827 -0.624 . . . . 99.989999999999995 111.871 -179.256 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' W' W ' 558' ' ' ILE . . . . . 0.451 HD13 HG21 ' W' ' 558' ' ' ILE . 4.2 mm -86.75 124.81 40.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.967 -0.561 . . . . 99.989999999999995 111.558 -178.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' W' W ' 559' ' ' ASP . . . . . 0.429 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 0.7 OUTLIER -68.02 144.63 97.22 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.872 -0.604 . . . . 99.989999999999995 111.171 -179.663 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' W' W ' 560' ' ' PRO . . . . . 0.491 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 36.8 Cg_endo -85.08 -22.71 2.68 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.67 2.247 . . . . 99.989999999999995 112.403 179.777 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.39 -28.84 46.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 99.989999999999995 110.963 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -144.78 -43.54 0.24 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.073 -0.512 . . . . 99.989999999999995 110.849 -179.871 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 C-N-CA 120.708 -0.758 . . . . 99.989999999999995 112.512 179.904 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.605 -0.198 . . . . 99.989999999999995 112.605 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' P' P ' 229' ' ' LEU . . . . . 0.5 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 0.2 OUTLIER 53.84 96.69 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 120.612 0.244 . . . . 99.989999999999995 110.739 -179.862 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.07 -146.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.492 2.128 . . . . 99.989999999999995 111.391 179.437 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 4.9 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 99.989999999999995 110.861 179.71 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' W' W ' 531' ' ' LEU . . . . . 0.412 HD21 ' CZ ' ' W' ' 547' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.463 0.196 0 CA-C-O 120.667 0.27 . . . . 99.989999999999995 110.456 . . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' W' W ' 532' ' ' PRO . . . . . 0.436 ' HG2' ' HG2' ' W' ' 560' ' ' PRO . 80.2 Cg_exo -48.17 179.39 0.01 OUTLIER 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.65 2.233 . . . . 99.989999999999995 113.031 -179.41 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' W' W ' 533' ' ' PRO . . . . . 0.432 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 59.4 Cg_exo -43.09 -52.43 4.82 Favored 'Trans proline' 0 CA--C 1.515 -0.43 0 C-N-CA 123.515 2.81 . . . . 99.989999999999995 115.177 -178.665 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' W' W ' 534' ' ' ARG . . . . . 0.473 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 21.0 mmt85 -120.77 68.63 0.87 Allowed 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.916 -0.584 . . . . 99.989999999999995 111.73 -178.179 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' W' W ' 535' ' ' TRP . . . . . 0.549 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 79.6 m95 -153.47 156.09 37.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.168 0.508 . . . . 99.989999999999995 112.26 179.76 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' W' W ' 536' ' ' SER . . . . . . . . . . . . . 1.5 m -143.82 -172.05 3.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.365 -0.834 . . . . 99.989999999999995 110.206 179.678 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' W' W ' 537' ' ' MET . . . . . 0.407 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 0.1 OUTLIER -145.7 128.53 16.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.979 0.419 . . . . 99.989999999999995 111.338 -179.942 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' W' W ' 538' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -145.58 144.93 30.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.878 -0.601 . . . . 99.989999999999995 110.605 179.677 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' W' W ' 539' ' ' VAL . . . . . 0.477 ' CG2' ' CG2' ' W' ' 545' ' ' THR . 9.5 t -84.2 129.11 38.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.343 -0.389 . . . . 99.989999999999995 111.046 -179.818 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' W' W ' 540' ' ' ALA . . . . . 0.428 ' CB ' ' HD2' ' W' ' 541' ' ' PRO . . . -94.98 169.66 9.11 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 99.989999999999995 110.903 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' W' W ' 541' ' ' PRO . . . . . 0.428 ' HD2' ' CB ' ' W' ' 540' ' ' ALA . 55.6 Cg_endo -69.82 -23.78 30.12 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.475 2.117 . . . . 99.989999999999995 112.055 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -53.4 -33.01 52.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.993 -0.549 . . . . 99.989999999999995 110.835 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 123.98 -8.61 8.6 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.649 -0.786 . . . . 99.989999999999995 113.093 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' W' W ' 544' ' ' ARG . . . . . 0.529 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -128.49 156.67 42.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 117.023 0.411 . . . . 99.989999999999995 111.415 -179.874 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' W' W ' 545' ' ' THR . . . . . 0.477 ' CG2' ' CG2' ' W' ' 539' ' ' VAL . 0.6 OUTLIER -85.1 146.91 26.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.977 -0.556 . . . . 99.989999999999995 111.222 -179.917 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' W' W ' 546' ' ' PHE . . . . . 0.412 ' HB3' ' CZ3' ' W' ' 557' ' ' TRP . 3.4 p90 -120.95 -174.85 2.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.105 -0.498 . . . . 99.989999999999995 110.854 179.837 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' W' W ' 547' ' ' PHE . . . . . 0.488 ' CD2' ' CD ' ' W' ' 560' ' ' PRO . 1.0 OUTLIER -123.11 118.34 27.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.003 0.43 . . . . 99.989999999999995 110.353 179.731 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' W' W ' 548' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' W' ' 535' ' ' TRP . 2.7 mp -79.52 137.48 21.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.637 -0.71 . . . . 99.989999999999995 110.795 -179.732 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' W' W ' 549' ' ' ASP . . . . . 0.487 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 55.2 t0 -110.17 105.97 15.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.112 -0.494 . . . . 99.989999999999995 111.047 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' W' W ' 550' ' ' HIS . . . . . 0.401 ' HB2' ' HB3' ' W' ' 534' ' ' ARG . 19.4 m-70 -76.41 -21.72 55.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 99.989999999999995 111.114 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -59.43 -46.02 89.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.89 0.376 . . . . 99.989999999999995 111.059 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.6 19.24 6.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.027 -0.533 . . . . 99.989999999999995 111.221 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 49.47 64.28 1.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 99.989999999999995 111.06 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -135.65 -167.5 2.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 99.989999999999995 110.669 179.729 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 63.7 p -151.74 155.06 37.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.435 -0.348 . . . . 99.989999999999995 111.248 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 10.6 t -148.91 159.16 44.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.013 0.435 . . . . 99.989999999999995 111.184 -179.917 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' W' W ' 557' ' ' TRP . . . . . 0.529 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 22.9 m95 -87.45 -22.06 25.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.965 -0.561 . . . . 99.989999999999995 111.214 -179.929 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 31.5 mt -107.22 125.57 63.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.135 0.493 . . . . 99.989999999999995 111.919 -178.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' W' W ' 559' ' ' ASP . . . . . 0.472 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 4.7 p30 -57.3 138.45 80.7 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 115.671 -0.695 . . . . 99.989999999999995 111.053 -179.848 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' W' W ' 560' ' ' PRO . . . . . 0.549 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 81.3 Cg_endo -90.98 19.65 1.09 Allowed 'Trans proline' 0 N--CA 1.455 -0.755 0 C-N-CA 123.012 2.475 . . . . 99.989999999999995 111.903 179.321 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.07 7.71 29.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.98 -0.555 . . . . 99.989999999999995 111.441 -179.604 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -175.41 -49.53 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.719 0.295 . . . . 99.989999999999995 110.718 179.774 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 99.989999999999995 112.618 179.859 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.413 0 N-CA-C 112.483 -0.247 . . . . 99.989999999999995 112.483 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' P' P ' 229' ' ' LEU . . . . . 0.482 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 4.4 tp 68.32 70.61 0.42 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.695 0.283 . . . . 99.989999999999995 110.921 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' P' P ' 230' ' ' PRO . . . . . 0.425 ' CD ' ' HB2' ' W' ' 540' ' ' ALA . 53.2 Cg_exo -54.94 104.93 0.13 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.543 2.162 . . . . 99.989999999999995 112.074 179.88 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 32.8 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 99.989999999999995 111.084 -179.907 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' W' W ' 531' ' ' LEU . . . . . 0.435 ' CD1' ' HA ' ' W' ' 536' ' ' SER . 1.3 mt . . . . . 0 C--O 1.232 0.136 0 N-CA-C 109.676 -0.49 . . . . 99.989999999999995 109.676 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' W' W ' 532' ' ' PRO . . . . . 0.462 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 56.4 Cg_exo -50.85 -174.81 0.01 OUTLIER 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 122.267 1.978 . . . . 99.989999999999995 113.244 -178.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' W' W ' 533' ' ' PRO . . . . . 0.462 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 19.8 Cg_exo -69.73 -10.18 27.95 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.407 2.738 . . . . 99.989999999999995 115.168 -177.922 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' W' W ' 534' ' ' ARG . . . . . 0.437 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 22.8 mmt85 -143.57 43.07 1.5 Allowed 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 120.359 -0.536 . . . . 99.989999999999995 111.66 -178.883 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' W' W ' 535' ' ' TRP . . . . . 0.499 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 38.3 m95 -141.55 168.01 20.79 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.41 0.624 . . . . 99.989999999999995 112.466 -179.934 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' W' W ' 536' ' ' SER . . . . . 0.435 ' HA ' ' CD1' ' W' ' 531' ' ' LEU . 0.1 OUTLIER -147.39 -158.14 0.88 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.147 -0.933 . . . . 99.989999999999995 110.429 -179.835 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' W' W ' 537' ' ' MET . . . . . . . . . . . . . 26.8 mtp -144.4 144.69 31.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.389 -0.368 . . . . 99.989999999999995 110.755 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' W' W ' 538' ' ' GLN . . . . . 0.471 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 2.2 tp-100 -168.2 129.73 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 99.989999999999995 110.979 -179.888 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 4.7 t -79.48 136.51 23.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 99.989999999999995 110.802 179.728 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' W' W ' 540' ' ' ALA . . . . . 0.469 ' HB3' ' CE1' ' W' ' 546' ' ' PHE . . . -107.6 156.75 37.35 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.113 -0.494 . . . . 99.989999999999995 111.33 -179.696 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -62.85 -24.45 74.36 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.613 2.208 . . . . 99.989999999999995 111.402 179.385 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -47.82 -42.02 25.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.765 -0.652 . . . . 99.989999999999995 110.759 179.728 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 134.47 -12.06 4.62 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.67 -0.776 . . . . 99.989999999999995 112.668 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' W' W ' 544' ' ' ARG . . . . . 0.486 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.24 155.81 46.47 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.91 0.386 . . . . 99.989999999999995 111.108 -179.935 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -80.47 145.33 31.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.979 -0.555 . . . . 99.989999999999995 110.05 179.276 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' W' W ' 546' ' ' PHE . . . . . 0.471 ' CE1' ' O ' ' W' ' 538' ' ' GLN . 7.4 p90 -117.22 -179.56 3.75 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.014 0.435 . . . . 99.989999999999995 111.201 -179.666 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' W' W ' 547' ' ' PHE . . . . . 0.499 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.6 OUTLIER -123.89 126.47 46.43 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 115.862 -0.608 . . . . 99.989999999999995 111.169 -179.784 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' W' W ' 548' ' ' ILE . . . . . 0.462 ' O ' ' CE3' ' W' ' 535' ' ' TRP . 2.7 mp -86.71 149.25 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 CA-C-N 115.21 -0.905 . . . . 99.989999999999995 110.359 179.663 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -128.64 117.41 21.16 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.629 -0.714 . . . . 99.989999999999995 111.013 -179.496 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' W' W ' 550' ' ' HIS . . . . . 0.405 ' CD2' ' N ' ' W' ' 550' ' ' HIS . 7.5 m170 -81.91 -26.07 34.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 99.989999999999995 110.788 179.864 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -50.05 -43.12 50.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.227 -0.442 . . . . 99.989999999999995 110.734 179.583 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.72 1.19 8.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.917 -0.583 . . . . 99.989999999999995 111.306 179.583 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 59.7 mmt-85 63.11 62.77 0.98 Allowed 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.733 0.301 . . . . 99.989999999999995 110.977 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' W' W ' 554' ' ' ARG . . . . . 0.42 ' CZ ' ' HB3' ' W' ' 554' ' ' ARG . 5.4 mtp-105 -149.24 -166.53 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 99.989999999999995 110.967 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 60.3 p -143.92 179.67 7.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 99.989999999999995 111.098 179.791 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' W' W ' 556' ' ' THR . . . . . 0.404 ' CA ' HD12 ' P' ' 229' ' ' LEU . 0.0 OUTLIER -171.15 166.04 7.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.008 -0.542 . . . . 99.989999999999995 111.117 179.861 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' W' W ' 557' ' ' TRP . . . . . 0.486 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 19.1 m95 -89.6 15.37 9.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.958 -0.565 . . . . 99.989999999999995 111.452 179.832 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.5 mm -129.05 149.07 33.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.099 0.476 . . . . 99.989999999999995 111.754 -179.022 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' W' W ' 559' ' ' ASP . . . . . 0.428 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 2.2 m-20 -102.94 110.81 64.28 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.632 -0.713 . . . . 99.989999999999995 111.104 -179.688 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' W' W ' 560' ' ' PRO . . . . . 0.499 ' HD2' ' CD2' ' W' ' 547' ' ' PHE . 1.9 Cg_endo -47.5 -37.33 25.9 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 121.999 1.8 . . . . 99.989999999999995 111.184 179.43 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.39 -29.83 6.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.587 -0.733 . . . . 99.989999999999995 110.833 179.539 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -129.73 -60.14 1.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.363 -0.38 . . . . 99.989999999999995 110.934 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' W' W ' 563' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' W' ' 559' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.903 -0.665 . . . . 99.989999999999995 112.347 -179.865 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.483 -0.247 . . . . 99.989999999999995 112.483 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' P' P ' 229' ' ' LEU . . . . . 0.476 ' HB2' ' CZ2' ' W' ' 557' ' ' TRP . 0.8 OUTLIER -112.01 92.14 17.39 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.716 0.293 . . . . 99.989999999999995 111.175 -179.908 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.54 103.69 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.583 2.189 . . . . 99.989999999999995 111.973 179.667 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 9.7 t . . . . . 0 C--N 1.326 -0.413 0 CA-C-O 121.159 0.504 . . . . 99.989999999999995 111.083 -179.656 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' W' W ' 531' ' ' LEU . . . . . 0.429 ' CD2' ' HA ' ' W' ' 536' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.106 0 N-CA-C 110.206 -0.294 . . . . 99.989999999999995 110.206 . . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' W' W ' 532' ' ' PRO . . . . . 0.475 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 76.2 Cg_exo -49.08 -174.09 0.0 OUTLIER 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.625 2.217 . . . . 99.989999999999995 113.371 -179.271 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' W' W ' 533' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 24.8 Cg_exo -64.79 -12.39 33.85 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.303 2.669 . . . . 99.989999999999995 115.424 -177.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' W' W ' 534' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -145.79 43.76 1.26 Allowed 'General case' 0 C--N 1.312 -1.04 0 C-N-CA 120.17 -0.612 . . . . 99.989999999999995 111.845 -178.866 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' W' W ' 535' ' ' TRP . . . . . 0.498 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 47.9 m95 -137.97 168.93 18.7 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.832 0.678 . . . . 99.989999999999995 112.832 -179.87 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' W' W ' 536' ' ' SER . . . . . 0.429 ' HA ' ' CD2' ' W' ' 531' ' ' LEU . 0.6 OUTLIER -159.2 -167.68 2.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.039 -0.982 . . . . 99.989999999999995 110.497 -179.961 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' W' W ' 537' ' ' MET . . . . . 0.437 ' HE1' ' CE1' ' W' ' 547' ' ' PHE . 17.5 mtp -129.02 152.94 48.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.904 -0.589 . . . . 99.989999999999995 111.001 -179.881 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' W' W ' 538' ' ' GLN . . . . . 0.473 ' O ' ' CD1' ' W' ' 546' ' ' PHE . 4.3 tp-100 -168.45 129.81 1.32 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.232 -0.44 . . . . 99.989999999999995 111.038 179.844 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 13.7 p -84.7 125.72 40.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.123 -0.49 . . . . 99.989999999999995 110.667 179.735 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' W' W ' 540' ' ' ALA . . . . . 0.437 ' CB ' ' HD2' ' W' ' 541' ' ' PRO . . . -98.17 169.79 7.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 99.989999999999995 111.454 -179.489 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' W' W ' 541' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' W' ' 540' ' ' ALA . 56.5 Cg_endo -70.85 -23.52 25.75 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.546 2.164 . . . . 99.989999999999995 111.855 179.719 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' W' W ' 542' ' ' ASN . . . . . 0.401 ' ND2' ' NE ' ' W' ' 544' ' ' ARG . 52.7 t30 -50.25 -32.63 17.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.978 -0.556 . . . . 99.989999999999995 110.697 179.684 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 123.98 -10.21 8.39 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.739 -0.743 . . . . 99.989999999999995 112.858 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' W' W ' 544' ' ' ARG . . . . . 0.529 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 2.2 ptp180 -131.35 158.28 41.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.048 0.452 . . . . 99.989999999999995 111.374 -179.804 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.29 146.57 28.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.792 -0.64 . . . . 99.989999999999995 110.618 179.581 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' W' W ' 546' ' ' PHE . . . . . 0.477 ' HB3' ' CZ3' ' W' ' 557' ' ' TRP . 5.8 p90 -118.59 -176.07 3.01 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.11 -0.495 . . . . 99.989999999999995 111.179 -179.66 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' W' W ' 547' ' ' PHE . . . . . 0.476 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.8 OUTLIER -120.88 118.36 29.73 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.294 0.568 . . . . 99.989999999999995 110.892 179.785 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' W' W ' 548' ' ' ILE . . . . . 0.44 ' CD1' ' HB2' ' W' ' 538' ' ' GLN . 3.3 mt -82.4 143.32 12.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.4 -0.818 . . . . 99.989999999999995 110.653 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -122.09 116.93 25.12 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.873 -0.603 . . . . 99.989999999999995 110.612 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -81.82 -26.41 34.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 99.989999999999995 111.186 -179.764 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -57.54 -38.36 74.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 99.989999999999995 110.881 179.837 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.67 -13.22 9.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 99.989999999999995 111.532 -179.903 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.98 43.1 0.33 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.833 0.349 . . . . 99.989999999999995 110.711 -179.75 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -131.56 -166.16 1.68 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.192 -0.458 . . . . 99.989999999999995 111.098 -179.836 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 38.8 p -142.22 176.2 9.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 99.989999999999995 111.275 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 10.0 t -167.29 167.27 14.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 99.989999999999995 111.369 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' W' W ' 557' ' ' TRP . . . . . 0.529 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 11.6 m95 -96.53 11.8 33.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 99.989999999999995 112.022 -179.63 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 6.5 mm -128.61 154.44 39.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.922 0.391 . . . . 99.989999999999995 111.774 -179.272 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' W' W ' 559' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -99.8 114.19 65.5 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 115.892 -0.594 . . . . 99.989999999999995 110.943 -179.867 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' W' W ' 560' ' ' PRO . . . . . 0.498 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 9.4 Cg_endo -55.87 -19.21 24.51 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.368 2.045 . . . . 99.989999999999995 112.507 -179.856 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.01 -59.39 5.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.994 0.426 . . . . 99.989999999999995 110.296 179.746 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -112.94 -40.92 3.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.931 -0.577 . . . . 99.989999999999995 110.699 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.858 -0.686 . . . . 99.989999999999995 112.419 -179.89 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.796 -0.122 . . . . 99.989999999999995 112.796 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' P' P ' 229' ' ' LEU . . . . . 0.481 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 9.1 tp -101.72 110.4 61.89 Favored Pre-proline 0 C--N 1.329 -0.31 0 O-C-N 122.828 -0.219 . . . . 99.989999999999995 110.804 179.927 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -57.11 -154.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.38 2.054 . . . . 99.989999999999995 111.978 179.796 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.555 -0.293 . . . . 99.989999999999995 111.187 -179.952 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' W' W ' 531' ' ' LEU . . . . . 0.43 ' CD1' ' HA ' ' W' ' 536' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.724 0 CA-C-O 120.635 0.255 . . . . 99.989999999999995 111.574 . . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' W' W ' 532' ' ' PRO . . . . . 0.478 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 72.6 Cg_exo -50.85 -173.55 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.584 2.189 . . . . 99.989999999999995 113.312 -179.574 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' W' W ' 533' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 17.3 Cg_exo -71.28 -9.08 24.73 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.571 2.848 . . . . 99.989999999999995 114.974 -178.177 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' W' W ' 534' ' ' ARG . . . . . 0.443 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 19.2 mmt85 -142.1 38.9 1.6 Allowed 'General case' 0 C--N 1.313 -0.98 0 C-N-CA 120.405 -0.518 . . . . 99.989999999999995 111.903 -178.829 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' W' W ' 535' ' ' TRP . . . . . 0.502 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 31.3 m95 -139.31 169.59 17.49 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.359 0.599 . . . . 99.989999999999995 112.483 -179.65 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' W' W ' 536' ' ' SER . . . . . 0.43 ' HA ' ' CD1' ' W' ' 531' ' ' LEU . 0.1 OUTLIER -142.4 -158.95 0.91 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.129 -0.941 . . . . 99.989999999999995 110.29 179.936 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' W' W ' 537' ' ' MET . . . . . 0.429 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 17.3 mtp -148.79 126.89 12.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.355 -0.384 . . . . 99.989999999999995 110.689 179.798 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' W' W ' 538' ' ' GLN . . . . . 0.46 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 1.5 tp60 -152.46 132.6 13.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.287 -0.415 . . . . 99.989999999999995 111.136 -179.637 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 12.6 t -80.43 127.6 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 99.989999999999995 110.464 179.609 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' W' W ' 540' ' ' ALA . . . . . . . . . . . . . . . -91.15 141.34 26.25 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.296 -0.411 . . . . 99.989999999999995 111.159 -179.661 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -55.0 -23.42 34.99 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.542 2.162 . . . . 99.989999999999995 111.471 179.457 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -51.99 -34.37 42.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.75 -0.659 . . . . 99.989999999999995 110.718 179.642 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 130.37 -12.84 5.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.615 -0.802 . . . . 99.989999999999995 112.908 179.767 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' W' W ' 544' ' ' ARG . . . . . 0.494 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -126.56 155.38 42.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.973 0.416 . . . . 99.989999999999995 111.206 -179.799 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.68 146.13 27.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.893 -0.594 . . . . 99.989999999999995 110.435 179.289 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' W' W ' 546' ' ' PHE . . . . . 0.489 ' HB3' ' CZ3' ' W' ' 557' ' ' TRP . 5.3 p90 -121.16 179.3 4.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.158 -0.474 . . . . 99.989999999999995 111.059 179.927 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' W' W ' 547' ' ' PHE . . . . . 0.471 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.3 OUTLIER -124.93 120.64 32.19 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 115.755 -0.657 . . . . 99.989999999999995 110.552 179.707 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' W' W ' 548' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' W' ' 535' ' ' TRP . 2.8 mp -79.32 143.39 12.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.334 -0.848 . . . . 99.989999999999995 110.429 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' W' W ' 549' ' ' ASP . . . . . 0.45 ' OD1' ' CE2' ' W' ' 535' ' ' TRP . 32.0 t70 -123.76 119.73 30.61 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.831 -0.622 . . . . 99.989999999999995 110.972 -179.288 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' W' W ' 550' ' ' HIS . . . . . 0.436 ' CD2' ' N ' ' W' ' 550' ' ' HIS . 4.8 m170 -91.27 -23.78 20.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.04 -0.527 . . . . 99.989999999999995 110.777 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -60.93 -39.41 89.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.348 -0.387 . . . . 99.989999999999995 111.179 -179.827 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.35 -12.33 10.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.255 -0.43 . . . . 99.989999999999995 111.678 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 74.84 55.16 0.08 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.772 0.32 . . . . 99.989999999999995 110.823 -179.756 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' W' W ' 554' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' W' ' 549' ' ' ASP . 14.3 mtp180 -155.0 172.27 18.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.35 -0.386 . . . . 99.989999999999995 110.908 -179.92 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 67.5 p -123.75 -176.26 3.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.808 0.337 . . . . 99.989999999999995 111.061 179.829 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -174.88 166.89 3.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 99.989999999999995 111.439 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' W' W ' 557' ' ' TRP . . . . . 0.495 ' CZ2' ' HB2' ' P' ' 229' ' ' LEU . 25.9 m95 -91.93 21.0 5.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.905 -0.589 . . . . 99.989999999999995 111.14 179.701 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.3 mm -133.48 143.9 37.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.075 0.464 . . . . 99.989999999999995 111.898 -178.771 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' W' W ' 559' ' ' ASP . . . . . 0.415 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 3.4 m-20 -94.79 111.51 54.58 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.797 -0.638 . . . . 99.989999999999995 110.687 179.783 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' W' W ' 560' ' ' PRO . . . . . 0.502 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 3.6 Cg_endo -49.6 -35.24 36.99 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 121.99 1.793 . . . . 99.989999999999995 111.531 179.896 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.99 -41.57 47.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.679 -0.691 . . . . 99.989999999999995 110.788 179.539 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -116.51 -64.44 1.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.063 -0.517 . . . . 99.989999999999995 110.801 179.885 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.795 -0.717 . . . . 99.989999999999995 112.454 179.966 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.472 -0.251 . . . . 99.989999999999995 112.472 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' P' P ' 229' ' ' LEU . . . . . 0.495 ' HB2' ' CZ2' ' W' ' 557' ' ' TRP . 0.5 OUTLIER -105.57 100.59 27.44 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 120.519 0.199 . . . . 99.989999999999995 111.123 -179.701 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -56.38 93.8 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.331 2.021 . . . . 99.989999999999995 111.619 179.539 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 5.8 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 99.989999999999995 111.485 -179.442 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' W' W ' 531' ' ' LEU . . . . . 0.444 ' CD1' ' HA ' ' W' ' 536' ' ' SER . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 N-CA-C 109.618 -0.512 . . . . 99.989999999999995 109.618 . . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' W' W ' 532' ' ' PRO . . . . . 0.47 ' HB2' ' CD1' ' W' ' 535' ' ' TRP . 71.9 Cg_exo -49.67 -176.01 0.01 OUTLIER 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 122.468 2.112 . . . . 99.989999999999995 113.5 -178.734 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' W' W ' 533' ' ' PRO . . . . . 0.44 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 17.1 Cg_exo -71.15 -1.11 9.07 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.584 2.856 . . . . 99.989999999999995 115.153 -177.893 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' W' W ' 534' ' ' ARG . . . . . 0.439 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 6.1 mmt180 -151.17 38.46 0.65 Allowed 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 120.211 -0.596 . . . . 99.989999999999995 111.492 -179.189 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' W' W ' 535' ' ' TRP . . . . . 0.49 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 31.8 m95 -139.24 168.91 18.76 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.34 0.591 . . . . 99.989999999999995 112.439 -179.632 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' W' W ' 536' ' ' SER . . . . . 0.444 ' HA ' ' CD1' ' W' ' 531' ' ' LEU . 0.1 OUTLIER -146.32 -157.31 0.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.113 -0.949 . . . . 99.989999999999995 110.334 -179.826 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' W' W ' 537' ' ' MET . . . . . 0.408 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 28.3 mtp -149.17 128.9 13.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.797 0.332 . . . . 99.989999999999995 110.85 179.889 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' W' W ' 538' ' ' GLN . . . . . 0.46 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 0.7 OUTLIER -153.21 134.6 14.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 99.989999999999995 111.041 -179.713 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 2.3 t -81.56 133.1 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 99.989999999999995 110.767 179.828 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' W' W ' 540' ' ' ALA . . . . . 0.475 ' HB1' ' CE1' ' W' ' 546' ' ' PHE . . . -99.14 154.93 37.07 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.42 . . . . 99.989999999999995 111.234 -179.712 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -61.75 -25.51 78.74 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.528 2.152 . . . . 99.989999999999995 111.655 179.678 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -50.16 -34.41 22.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.791 -0.641 . . . . 99.989999999999995 110.835 179.711 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 126.62 -8.45 7.34 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.642 -0.789 . . . . 99.989999999999995 112.944 179.889 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' W' W ' 544' ' ' ARG . . . . . 0.491 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -130.88 154.49 48.02 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.946 0.403 . . . . 99.989999999999995 111.237 -179.801 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.16 146.49 29.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.898 -0.592 . . . . 99.989999999999995 110.759 179.628 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' W' W ' 546' ' ' PHE . . . . . 0.488 ' HB3' ' CZ3' ' W' ' 557' ' ' TRP . 5.3 p90 -119.56 -176.5 3.17 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.174 -0.466 . . . . 99.989999999999995 111.201 -179.893 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' W' W ' 547' ' ' PHE . . . . . 0.484 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.6 OUTLIER -125.85 123.71 39.28 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.895 -0.593 . . . . 99.989999999999995 110.584 179.716 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' W' W ' 548' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' W' ' 535' ' ' TRP . 2.7 mp -85.4 149.79 4.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.273 -0.876 . . . . 99.989999999999995 110.798 -179.64 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -126.77 116.44 20.91 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.285 -0.87 . . . . 99.989999999999995 110.854 -179.817 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' W' W ' 550' ' ' HIS . . . . . 0.419 ' CD2' ' N ' ' W' ' 550' ' ' HIS . 6.7 m170 -81.56 -29.94 33.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 99.989999999999995 110.999 -179.853 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -48.88 -33.96 11.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.342 -0.39 . . . . 99.989999999999995 111.144 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.76 7.2 3.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.052 -0.522 . . . . 99.989999999999995 111.658 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 58.91 61.35 2.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.612 0.244 . . . . 99.989999999999995 111.085 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 13.2 mtm105 -144.6 -166.17 2.32 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.853 0.359 . . . . 99.989999999999995 111.415 -179.877 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 65.2 p -146.78 -178.4 6.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.981 -0.554 . . . . 99.989999999999995 110.801 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.21 163.2 2.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 99.989999999999995 111.214 179.766 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' W' W ' 557' ' ' TRP . . . . . 0.494 ' CE2' ' HB2' ' P' ' 229' ' ' LEU . 18.8 m95 -88.58 16.26 6.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.885 -0.598 . . . . 99.989999999999995 111.71 -179.887 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.0 mm -128.02 143.14 41.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.036 0.446 . . . . 99.989999999999995 111.858 -178.938 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' W' W ' 559' ' ' ASP . . . . . 0.43 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 1.4 m-20 -98.48 111.28 59.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.756 -0.656 . . . . 99.989999999999995 111.122 -179.61 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' W' W ' 560' ' ' PRO . . . . . 0.49 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 5.6 Cg_endo -50.93 -34.6 46.5 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 121.962 1.775 . . . . 99.989999999999995 111.44 179.682 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.84 -29.39 40.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.794 -0.639 . . . . 99.989999999999995 110.709 179.483 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -130.36 -67.21 0.74 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.449 . . . . 99.989999999999995 110.849 -179.894 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' W' W ' 563' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' W' ' 559' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.702 -0.761 . . . . 99.989999999999995 112.467 -179.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.503 -0.239 . . . . 99.989999999999995 112.503 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' P' P ' 229' ' ' LEU . . . . . 0.494 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 4.1 tp -101.75 104.04 32.47 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 120.481 0.181 . . . . 99.989999999999995 110.863 179.903 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' P' P ' 230' ' ' PRO . . . . . 0.429 ' CD ' ' HB1' ' W' ' 540' ' ' ALA . 14.4 Cg_exo -69.64 110.51 2.55 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.676 2.25 . . . . 99.989999999999995 111.966 -179.899 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 19.5 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 99.989999999999995 111.06 -179.827 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' W' W ' 531' ' ' LEU . . . . . 0.437 ' CD2' ' HG3' ' W' ' 537' ' ' MET . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.554 0.216 . . . . 99.989999999999995 110.441 . . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' W' W ' 532' ' ' PRO . . . . . 0.47 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 70.8 Cg_exo -50.76 -174.2 0.01 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.427 2.084 . . . . 99.989999999999995 112.954 -179.435 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' W' W ' 533' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 22.1 Cg_exo -68.43 -12.15 34.02 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.282 2.655 . . . . 99.989999999999995 115.223 -178.056 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' W' W ' 534' ' ' ARG . . . . . 0.446 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 19.2 mmt180 -142.2 45.35 1.65 Allowed 'General case' 0 C--N 1.314 -0.97 0 C-N-CA 120.451 -0.5 . . . . 99.989999999999995 111.744 -178.833 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' W' W ' 535' ' ' TRP . . . . . 0.488 ' CE2' ' HG3' ' W' ' 560' ' ' PRO . 41.3 m95 -143.32 169.2 18.09 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.747 0.647 . . . . 99.989999999999995 112.747 -179.65 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' W' W ' 536' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.95 -163.77 1.64 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.014 -0.994 . . . . 99.989999999999995 110.332 179.906 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' W' W ' 537' ' ' MET . . . . . 0.437 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 5.2 mtt -131.28 153.22 49.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.196 -0.456 . . . . 99.989999999999995 111.075 -179.741 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' W' W ' 538' ' ' GLN . . . . . 0.479 ' HB3' ' CZ ' ' W' ' 546' ' ' PHE . 4.8 tp-100 -169.17 128.49 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 99.989999999999995 111.162 179.789 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' W' W ' 539' ' ' VAL . . . . . 0.42 HG23 ' CG2' ' W' ' 545' ' ' THR . 17.9 t -85.44 125.67 40.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.035 -0.529 . . . . 99.989999999999995 110.575 179.66 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' W' W ' 540' ' ' ALA . . . . . 0.439 ' HB3' ' CE1' ' W' ' 546' ' ' PHE . . . -100.53 152.55 37.87 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 99.989999999999995 111.423 -179.388 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_exo -60.46 -25.61 80.9 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.666 2.244 . . . . 99.989999999999995 111.512 179.545 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -47.18 -34.03 5.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.749 -0.66 . . . . 99.989999999999995 110.667 179.674 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 126.32 -10.43 7.3 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.715 -0.755 . . . . 99.989999999999995 112.747 179.833 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' W' W ' 544' ' ' ARG . . . . . 0.488 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.1 OUTLIER -131.3 155.24 47.52 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.942 0.401 . . . . 99.989999999999995 111.16 -179.936 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' W' W ' 545' ' ' THR . . . . . 0.42 ' CG2' HG23 ' W' ' 539' ' ' VAL . 0.6 OUTLIER -80.37 146.11 31.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.9 -0.591 . . . . 99.989999999999995 110.16 179.221 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' W' W ' 546' ' ' PHE . . . . . 0.487 ' HB3' ' CZ3' ' W' ' 557' ' ' TRP . 4.7 p90 -118.44 169.54 9.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.885 0.374 . . . . 99.989999999999995 110.958 179.884 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' W' W ' 547' ' ' PHE . . . . . 0.483 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.6 OUTLIER -115.64 129.31 56.45 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.476 0.655 . . . . 99.989999999999995 111.05 -179.558 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' W' W ' 548' ' ' ILE . . . . . 0.466 ' O ' ' CE3' ' W' ' 535' ' ' TRP . 2.7 mp -89.21 151.25 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 114.93 -1.032 . . . . 99.989999999999995 110.678 -179.817 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' W' W ' 549' ' ' ASP . . . . . 0.436 ' OD2' ' CZ2' ' W' ' 535' ' ' TRP . 7.1 t70 -128.67 115.32 17.85 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.288 -0.869 . . . . 99.989999999999995 110.926 -179.758 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' W' W ' 550' ' ' HIS . . . . . 0.405 ' CD2' ' N ' ' W' ' 550' ' ' HIS . 7.2 m170 -82.31 -24.58 34.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 99.989999999999995 110.902 179.936 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -54.94 -39.9 69.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 99.989999999999995 110.757 179.706 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.86 -4.33 8.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.008 -0.542 . . . . 99.989999999999995 111.549 179.911 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 66.59 64.09 0.5 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.836 0.35 . . . . 99.989999999999995 110.841 -179.666 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -152.7 -174.97 5.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 99.989999999999995 110.927 -179.801 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 41.3 p -137.78 171.21 14.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 99.989999999999995 110.929 179.792 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 1.8 t -164.52 169.97 16.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.064 0.459 . . . . 99.989999999999995 111.385 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' W' W ' 557' ' ' TRP . . . . . 0.488 ' CE2' ' HB2' ' P' ' 229' ' ' LEU . 27.7 m95 -93.49 19.87 7.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.82 -0.627 . . . . 99.989999999999995 111.144 179.795 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 4.6 mm -133.36 137.27 53.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.916 0.388 . . . . 99.989999999999995 111.572 -179.133 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' W' W ' 559' ' ' ASP . . . . . 0.475 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 21.9 p30 -97.71 114.39 64.89 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.058 -0.519 . . . . 99.989999999999995 110.687 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' W' W ' 560' ' ' PRO . . . . . 0.488 ' HG3' ' CE2' ' W' ' 535' ' ' TRP . 5.1 Cg_endo -50.54 -35.97 47.9 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.374 2.049 . . . . 99.989999999999995 112.217 -179.766 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' W' W ' 561' ' ' ARG . . . . . 0.424 ' CG ' ' HB2' ' W' ' 559' ' ' ASP . 0.1 OUTLIER -49.02 -32.33 9.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.08 -0.509 . . . . 99.989999999999995 110.925 179.823 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' W' W ' 562' ' ' ASN . . . . . 0.411 ' ND2' ' OD2' ' W' ' 559' ' ' ASP . 3.0 m-20 -129.35 -63.71 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.03 -0.532 . . . . 99.989999999999995 110.725 -179.918 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 99.989999999999995 112.612 179.92 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.443 -0.263 . . . . 99.989999999999995 112.443 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' P' P ' 229' ' ' LEU . . . . . 0.488 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 0.4 OUTLIER -105.91 101.01 31.09 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.624 0.25 . . . . 99.989999999999995 111.013 -179.892 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -57.58 104.52 0.16 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.363 2.042 . . . . 99.989999999999995 112.058 179.808 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 16.7 t . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.463 . . . . 99.989999999999995 111.256 -179.786 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' W' W ' 521' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.172 0 N-CA-C 112.526 -0.23 . . . . 99.989999999999995 112.526 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' W' W ' 522' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.03 141.31 69.66 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.647 2.231 . . . . 99.989999999999995 112.326 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 71.81 -71.78 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 99.989999999999995 110.955 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -66.64 86.08 0.11 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.631 -0.795 . . . . 99.989999999999995 112.461 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.06 173.35 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.337 . . . . 99.989999999999995 110.819 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . 87.69 70.01 1.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.752 . . . . 99.989999999999995 112.492 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -110.84 50.99 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 99.989999999999995 110.874 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -159.69 177.27 11.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 99.989999999999995 110.812 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 529' ' ' GLU . . . . . 0.43 ' HB3' ' NE ' ' W' ' 561' ' ' ARG . 1.7 tp10 -65.44 114.14 14.42 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 99.989999999999995 110.765 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -47.74 136.58 21.8 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.44 2.093 . . . . 99.989999999999995 112.581 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 531' ' ' LEU . . . . . 0.43 ' CD1' ' HA ' ' W' ' 536' ' ' SER . 0.3 OUTLIER -68.27 140.49 92.98 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.171 -0.468 . . . . 99.989999999999995 109.937 179.343 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' W' W ' 532' ' ' PRO . . . . . 0.436 ' HG2' ' HG2' ' W' ' 560' ' ' PRO . 83.4 Cg_exo -49.0 179.16 0.01 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.218 1.945 . . . . 99.989999999999995 112.674 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 533' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 93.1 Cg_exo -45.55 -40.02 17.85 Favored 'Trans proline' 0 CA--C 1.515 -0.442 0 C-N-CA 123.337 2.691 . . . . 99.989999999999995 115.335 -178.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 534' ' ' ARG . . . . . 0.433 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 11.2 mmm180 -131.88 63.76 1.61 Allowed 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 116.302 -0.408 . . . . 99.989999999999995 111.713 -178.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 535' ' ' TRP . . . . . 0.522 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 70.4 m95 -150.11 162.22 40.84 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.635 0.606 . . . . 99.989999999999995 112.635 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 536' ' ' SER . . . . . 0.43 ' HA ' ' CD1' ' W' ' 531' ' ' LEU . 1.7 m -145.49 -171.81 3.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.05 -0.977 . . . . 99.989999999999995 110.001 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 537' ' ' MET . . . . . 0.478 ' HE2' ' CZ ' ' W' ' 547' ' ' PHE . 0.0 OUTLIER -151.39 123.59 8.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.973 0.416 . . . . 99.989999999999995 111.342 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' W' W ' 538' ' ' GLN . . . . . 0.465 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 0.3 OUTLIER -144.41 140.63 29.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.927 -0.579 . . . . 99.989999999999995 110.632 179.702 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 7.3 p -79.02 136.23 24.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 99.989999999999995 111.118 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 540' ' ' ALA . . . . . 0.415 ' HB1' ' CD ' ' P' ' 230' ' ' PRO . . . -101.52 168.54 8.95 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 99.989999999999995 110.968 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -23.92 30.14 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.513 2.142 . . . . 99.989999999999995 112.113 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 542' ' ' ASN . . . . . 0.411 ' ND2' ' HD2' ' W' ' 544' ' ' ARG . 35.5 t-20 -52.62 -31.92 39.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 99.989999999999995 110.712 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 123.13 -8.15 9.13 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.818 -0.706 . . . . 99.989999999999995 113.036 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 544' ' ' ARG . . . . . 0.524 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 0.1 OUTLIER -129.57 158.59 38.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.992 0.425 . . . . 99.989999999999995 111.25 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 2.1 p -87.88 147.11 25.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.775 -0.648 . . . . 99.989999999999995 111.212 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 546' ' ' PHE . . . . . 0.465 ' CE1' ' O ' ' W' ' 538' ' ' GLN . 4.0 p90 -120.16 -175.04 2.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.14 -0.482 . . . . 99.989999999999995 111.044 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 547' ' ' PHE . . . . . 0.478 ' CZ ' ' HE2' ' W' ' 537' ' ' MET . 2.5 m-85 -125.78 116.39 21.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 99.989999999999995 110.748 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 548' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' W' ' 535' ' ' TRP . 3.5 mt -79.89 135.75 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.939 -0.573 . . . . 99.989999999999995 110.883 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -102.72 111.96 24.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.019 -0.537 . . . . 99.989999999999995 110.656 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -81.32 -23.54 37.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 99.989999999999995 111.074 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 551' ' ' ALA . . . . . 0.421 ' N ' ' HB3' ' W' ' 534' ' ' ARG . . . -59.93 -38.92 83.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.378 -0.374 . . . . 99.989999999999995 111.067 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.52 19.47 3.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 99.989999999999995 111.147 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.93 76.44 0.11 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.81 0.338 . . . . 99.989999999999995 111.166 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -150.02 -162.95 1.66 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 99.989999999999995 110.954 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 59.8 p -155.22 157.92 38.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 99.989999999999995 111.191 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 556' ' ' THR . . . . . 0.431 ' N ' HD13 ' P' ' 229' ' ' LEU . 4.3 t -155.61 157.08 36.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.046 0.45 . . . . 99.989999999999995 111.219 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 557' ' ' TRP . . . . . 0.524 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 17.0 m95 -80.71 -21.41 41.24 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.789 -0.641 . . . . 99.989999999999995 111.807 -179.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 2.6 mt -100.29 133.29 43.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.952 0.406 . . . . 99.989999999999995 111.527 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 559' ' ' ASP . . . . . 0.421 ' CB ' ' CE1' ' W' ' 547' ' ' PHE . 2.7 p30 -72.31 141.06 82.92 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.895 -0.593 . . . . 99.989999999999995 110.99 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 560' ' ' PRO . . . . . 0.522 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 22.0 Cg_endo -84.34 -27.33 1.47 Allowed 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.536 2.157 . . . . 99.989999999999995 111.948 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 561' ' ' ARG . . . . . 0.43 ' NE ' ' HB3' ' W' ' 529' ' ' GLU . 0.3 OUTLIER -54.61 -24.03 19.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.838 -0.619 . . . . 99.989999999999995 110.894 179.828 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -139.26 -57.31 0.59 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.309 -0.405 . . . . 99.989999999999995 110.593 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 121.62 34.31 0.87 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.846 -0.692 . . . . 99.989999999999995 112.414 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.45 143.11 51.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 99.989999999999995 110.933 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -55.67 133.68 50.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 99.989999999999995 111.113 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 99.989999999999995 110.85 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 227' ' ' THR . . . . . 0.407 ' OG1' ' N ' ' P' ' 228' ' ' GLY . 73.1 p . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.841 0.353 . . . . 99.989999999999995 111.135 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 228' ' ' GLY . . . . . 0.407 ' N ' ' OG1' ' P' ' 227' ' ' THR . . . 99.02 -140.12 14.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.69 -0.767 . . . . 99.989999999999995 112.677 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 229' ' ' LEU . . . . . 0.494 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 32.0 tp 64.01 76.25 0.35 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.74 0.305 . . . . 99.989999999999995 110.853 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 230' ' ' PRO . . . . . 0.415 ' CD ' ' HB1' ' W' ' 540' ' ' ALA . 27.6 Cg_exo -61.99 99.11 0.18 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.595 2.197 . . . . 99.989999999999995 112.122 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 10.4 p -49.55 156.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 99.989999999999995 111.015 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 232' ' ' TYR . . . . . 0.438 ' CD1' HD11 ' P' ' 236' ' ' LEU . 2.6 t80 -50.07 92.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 99.989999999999995 111.004 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 171.51 -32.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.317 -0.401 . . . . 99.989999999999995 110.91 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.4 -44.06 5.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 99.989999999999995 111.009 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -81.19 64.53 5.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.31 -0.405 . . . . 99.989999999999995 111.052 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 236' ' ' LEU . . . . . 0.438 HD11 ' CD1' ' P' ' 232' ' ' TYR . 0.5 OUTLIER -143.21 35.58 1.35 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 99.989999999999995 110.927 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 33.5 m170 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 99.989999999999995 110.847 180.0 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' W' W ' 521' ' ' GLY . . . . . 0.781 ' H1 ' ' CA ' ' W' ' 521' ' ' GLY . . . . . . . . 0 N--CA 1.449 -0.453 0 N-CA-C 110.099 -1.2 . . . . 99.989999999999995 110.099 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 522' ' ' PRO . . . . . 0.553 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 70.4 Cg_endo -74.69 179.18 6.23 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.632 2.221 . . . . 99.989999999999995 112.288 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 2.4 mp -66.21 98.72 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 99.989999999999995 110.922 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -59.78 144.0 46.52 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.77 -0.728 . . . . 99.989999999999995 112.488 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.04 144.89 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.858 0.361 . . . . 99.989999999999995 110.937 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . 98.69 151.87 27.27 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.693 -0.765 . . . . 99.989999999999995 112.474 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.87 67.26 0.93 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.835 0.35 . . . . 99.989999999999995 110.781 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -136.62 116.1 12.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 99.989999999999995 110.962 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 529' ' ' GLU . . . . . 0.41 ' HB3' ' CD ' ' W' ' 561' ' ' ARG . 21.0 mt-10 61.86 89.55 0.1 Allowed Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.175 -0.466 . . . . 99.989999999999995 110.998 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -80.4 54.82 5.4 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.904 2.403 . . . . 99.989999999999995 112.97 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 531' ' ' LEU . . . . . . . . . . . . . 1.1 mt 59.97 114.85 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.652 -0.249 . . . . 99.989999999999995 110.768 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 532' ' ' PRO . . . . . 0.494 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 92.4 Cg_exo -46.5 179.76 0.0 OUTLIER 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 123.005 2.47 . . . . 99.989999999999995 112.831 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 533' ' ' PRO . . . . . 0.494 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 25.2 Cg_exo -36.04 -62.36 0.25 Allowed 'Trans proline' 0 CA--C 1.517 -0.37 0 C-N-CA 123.473 2.782 . . . . 99.989999999999995 114.667 -179.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 534' ' ' ARG . . . . . 0.474 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 10.5 mmm180 -116.33 73.37 0.85 Allowed 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.711 -0.677 . . . . 99.989999999999995 110.759 -178.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 535' ' ' TRP . . . . . 0.528 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 83.7 m95 -157.38 152.63 26.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.779 -0.646 . . . . 99.989999999999995 111.796 -179.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 536' ' ' SER . . . . . . . . . . . . . 1.4 m -146.06 -171.87 3.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.359 -0.837 . . . . 99.989999999999995 110.068 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 537' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.04 134.17 18.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.943 0.402 . . . . 99.989999999999995 110.99 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 538' ' ' GLN . . . . . 0.475 ' O ' ' CD1' ' W' ' 546' ' ' PHE . 0.0 OUTLIER -145.06 141.79 29.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.932 -0.576 . . . . 99.989999999999995 110.801 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' W' W ' 539' ' ' VAL . . . . . 0.434 HG22 ' CG2' ' W' ' 545' ' ' THR . 39.9 t -76.15 139.44 18.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.321 -0.4 . . . . 99.989999999999995 111.0 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 540' ' ' ALA . . . . . . . . . . . . . . . -109.63 165.57 12.4 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.322 -0.399 . . . . 99.989999999999995 111.415 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.55 -24.96 35.32 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.603 2.202 . . . . 99.989999999999995 111.838 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -53.18 -36.79 61.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.803 -0.635 . . . . 99.989999999999995 110.723 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 128.8 -9.53 6.39 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.691 -0.766 . . . . 99.989999999999995 113.06 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 544' ' ' ARG . . . . . 0.527 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 1.3 ptm180 -128.04 156.81 42.17 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.003 0.43 . . . . 99.989999999999995 111.342 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 545' ' ' THR . . . . . 0.434 ' CG2' HG22 ' W' ' 539' ' ' VAL . 1.4 p -83.29 146.42 28.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.82 -0.627 . . . . 99.989999999999995 111.165 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 546' ' ' PHE . . . . . 0.496 ' HB3' ' CZ3' ' W' ' 557' ' ' TRP . 9.1 p90 -122.13 -174.63 2.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.172 -0.467 . . . . 99.989999999999995 110.916 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 547' ' ' PHE . . . . . 0.483 ' CE1' ' HB3' ' W' ' 559' ' ' ASP . 3.3 m-85 -114.33 165.59 12.55 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.103 -0.499 . . . . 99.989999999999995 110.08 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 548' ' ' ILE . . . . . 0.437 HG22 ' CD2' ' P' ' 232' ' ' TYR . 16.6 mt -130.9 108.47 15.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.268 -0.424 . . . . 99.989999999999995 111.388 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 549' ' ' ASP . . . . . 0.487 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 19.7 t70 -82.87 109.04 16.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.004 -0.544 . . . . 99.989999999999995 110.78 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 550' ' ' HIS . . . . . 0.406 ' HB2' ' HB3' ' W' ' 534' ' ' ARG . 35.3 m-70 -80.16 -25.51 39.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 99.989999999999995 110.873 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -57.87 -30.99 66.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 99.989999999999995 111.28 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.83 20.18 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 99.989999999999995 111.303 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 5.9 mmt85 47.28 76.17 0.11 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.374 -0.376 . . . . 99.989999999999995 111.218 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -149.53 -173.84 4.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.292 -0.413 . . . . 99.989999999999995 110.85 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 71.1 p -146.12 158.32 43.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.94 0.4 . . . . 99.989999999999995 111.405 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 7.4 t -151.07 164.21 36.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.981 -0.554 . . . . 99.989999999999995 111.263 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 557' ' ' TRP . . . . . 0.527 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 14.8 m95 -89.86 -16.26 30.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.755 -0.657 . . . . 99.989999999999995 111.964 -179.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 10.0 mm -114.45 143.83 23.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.017 0.437 . . . . 99.989999999999995 111.782 -179.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 559' ' ' ASP . . . . . 0.483 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 2.1 p30 -76.07 141.54 71.16 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.956 -0.565 . . . . 99.989999999999995 110.695 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 560' ' ' PRO . . . . . 0.528 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 30.2 Cg_endo -86.01 -23.44 2.01 Favored 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 122.629 2.219 . . . . 99.989999999999995 112.222 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 561' ' ' ARG . . . . . 0.41 ' CD ' ' HB3' ' W' ' 529' ' ' GLU . 0.0 OUTLIER -53.69 -29.66 40.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.031 -0.531 . . . . 99.989999999999995 111.008 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' W' W ' 562' ' ' ASN . . . . . 0.404 ' ND2' ' OD1' ' W' ' 559' ' ' ASP . 11.8 p30 -145.28 -47.59 0.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.333 -0.394 . . . . 99.989999999999995 111.04 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 121.75 30.01 1.32 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.729 -0.748 . . . . 99.989999999999995 112.88 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 43.8 mtp85 -111.58 148.09 34.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 99.989999999999995 110.877 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -62.72 144.93 55.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 99.989999999999995 111.145 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 10.5 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 99.989999999999995 110.95 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.799 0.333 . . . . 99.989999999999995 111.121 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . -157.24 86.14 0.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.664 -0.779 . . . . 99.989999999999995 112.543 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 229' ' ' LEU . . . . . 0.476 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 25.3 tp -112.7 90.49 15.17 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.744 0.307 . . . . 99.989999999999995 110.886 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -55.86 121.18 9.51 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.496 2.13 . . . . 99.989999999999995 112.221 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 231' ' ' SER . . . . . 0.415 ' O ' ' N ' ' P' ' 233' ' ' ASP . 4.1 m -63.22 166.38 6.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.303 -0.408 . . . . 99.989999999999995 110.888 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 232' ' ' TYR . . . . . 0.437 ' CD2' HG22 ' W' ' 548' ' ' ILE . 2.4 t80 -56.24 86.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 99.989999999999995 110.964 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 233' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' P' ' 231' ' ' SER . 0.7 OUTLIER 177.1 -82.26 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.375 -0.375 . . . . 99.989999999999995 111.146 179.891 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -59.71 -22.95 62.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 99.989999999999995 111.226 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -89.65 59.9 4.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.362 -0.381 . . . . 99.989999999999995 111.242 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.03 26.64 1.5 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.29 -0.414 . . . . 99.989999999999995 111.057 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 99.989999999999995 110.834 179.915 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' W' W ' 521' ' ' GLY . . . . . 0.778 ' CA ' ' H3 ' ' W' ' 521' ' ' GLY . . . . . . . . 0 N--CA 1.449 -0.484 0 N-CA-C 110.105 -1.198 . . . . 99.989999999999995 110.105 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 522' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 71.8 Cg_endo -77.2 -19.32 13.61 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.664 2.243 . . . . 99.989999999999995 112.544 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.36 33.45 2.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.301 -0.409 . . . . 99.989999999999995 111.081 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -91.82 40.62 2.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.649 -0.786 . . . . 99.989999999999995 112.533 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.58 31.26 3.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.926 0.393 . . . . 99.989999999999995 110.855 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . 147.77 132.93 2.28 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.781 -0.723 . . . . 99.989999999999995 112.606 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -143.42 47.62 1.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.657 0.265 . . . . 99.989999999999995 110.909 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -113.53 22.08 14.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.38 -0.373 . . . . 99.989999999999995 111.192 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 529' ' ' GLU . . . . . 0.431 ' O ' ' NE ' ' W' ' 561' ' ' ARG . 5.2 tp10 50.3 79.34 0.35 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.38 -0.373 . . . . 99.989999999999995 111.041 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -47.35 164.55 0.13 Allowed 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.446 2.097 . . . . 99.989999999999995 112.347 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 531' ' ' LEU . . . . . 0.481 HD23 ' CE2' ' W' ' 547' ' ' PHE . 0.2 OUTLIER -69.82 136.72 87.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 99.989999999999995 110.4 179.629 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' W' W ' 532' ' ' PRO . . . . . 0.43 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 81.9 Cg_exo -48.15 179.65 0.01 OUTLIER 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 122.501 2.134 . . . . 99.989999999999995 112.724 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 533' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 82.3 Cg_exo -43.65 -50.67 6.85 Favored 'Trans proline' 0 CA--C 1.516 -0.406 0 C-N-CA 123.383 2.722 . . . . 99.989999999999995 115.179 -178.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 534' ' ' ARG . . . . . 0.481 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 23.3 mmt180 -120.88 67.17 0.86 Allowed 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 116.096 -0.502 . . . . 99.989999999999995 111.629 -178.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 535' ' ' TRP . . . . . 0.523 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 81.0 m95 -154.22 156.14 36.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.159 0.505 . . . . 99.989999999999995 111.958 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 536' ' ' SER . . . . . 0.405 ' HA ' ' CD1' ' W' ' 531' ' ' LEU . 2.1 m -143.73 -171.78 3.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.407 -0.815 . . . . 99.989999999999995 110.057 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 537' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -149.4 141.13 23.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.954 0.407 . . . . 99.989999999999995 111.455 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 538' ' ' GLN . . . . . 0.464 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 0.0 OUTLIER -164.22 135.91 4.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.917 -0.583 . . . . 99.989999999999995 110.486 179.767 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' W' W ' 539' ' ' VAL . . . . . 0.421 HG22 ' CG2' ' W' ' 545' ' ' THR . 21.3 t -69.35 141.03 17.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.962 0.41 . . . . 99.989999999999995 111.471 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 540' ' ' ALA . . . . . 0.454 ' CB ' ' CE1' ' W' ' 546' ' ' PHE . . . -107.68 169.78 6.29 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.024 -0.534 . . . . 99.989999999999995 111.1 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 541' ' ' PRO . . . . . 0.424 ' HD2' ' CB ' ' W' ' 540' ' ' ALA . 58.3 Cg_endo -71.4 -18.9 29.42 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.656 2.237 . . . . 99.989999999999995 112.398 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -60.54 -34.96 74.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.42 . . . . 99.989999999999995 110.968 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 129.83 -12.81 5.87 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.593 -0.813 . . . . 99.989999999999995 113.007 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 544' ' ' ARG . . . . . 0.494 ' HG3' ' CE3' ' W' ' 557' ' ' TRP . 2.2 ptm180 -127.67 158.8 36.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.9 0.35 . . . . 99.989999999999995 111.14 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 545' ' ' THR . . . . . 0.421 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.6 OUTLIER -82.7 146.76 28.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 99.989999999999995 111.243 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' W' W ' 546' ' ' PHE . . . . . 0.49 ' HB3' ' CZ3' ' W' ' 557' ' ' TRP . 4.1 p90 -122.29 161.57 23.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.072 -0.513 . . . . 99.989999999999995 111.071 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 547' ' ' PHE . . . . . 0.482 ' CE1' ' HB3' ' W' ' 559' ' ' ASP . 1.9 m-85 -102.68 122.39 44.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 99.989999999999995 110.979 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 548' ' ' ILE . . . . . 0.504 ' CG2' ' CD2' ' P' ' 232' ' ' TYR . 2.9 mp -80.6 133.88 28.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.867 -0.606 . . . . 99.989999999999995 110.837 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 549' ' ' ASP . . . . . 0.474 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 17.7 t0 -108.57 107.09 17.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 99.989999999999995 110.946 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -78.68 -26.64 45.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 99.989999999999995 111.018 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -56.4 -26.15 52.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 99.989999999999995 111.202 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.9 16.75 1.41 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.364 -0.38 . . . . 99.989999999999995 111.435 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? 50.26 65.86 1.32 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.817 0.341 . . . . 99.989999999999995 111.039 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.54 -162.05 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 99.989999999999995 111.067 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 46.5 p -156.83 161.73 39.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.031 -0.532 . . . . 99.989999999999995 110.966 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 556' ' ' THR . . . . . 0.422 ' N ' HD13 ' P' ' 229' ' ' LEU . 14.5 t -155.62 167.37 30.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.95 0.405 . . . . 99.989999999999995 111.325 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 557' ' ' TRP . . . . . 0.494 ' CE3' ' HG3' ' W' ' 544' ' ' ARG . 11.5 m95 -93.76 -21.3 19.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.971 -0.559 . . . . 99.989999999999995 111.502 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 558' ' ' ILE . . . . . 0.45 HD11 HG23 ' W' ' 558' ' ' ILE . 5.0 mm -105.57 133.46 49.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.3 -0.409 . . . . 99.989999999999995 111.333 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 559' ' ' ASP . . . . . 0.482 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 8.8 p30 -69.55 143.88 93.45 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.977 -0.556 . . . . 99.989999999999995 111.231 -179.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 560' ' ' PRO . . . . . 0.523 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 37.5 Cg_endo -87.48 -20.27 2.14 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 122.742 2.295 . . . . 99.989999999999995 112.292 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 561' ' ' ARG . . . . . 0.431 ' NE ' ' O ' ' W' ' 529' ' ' GLU . 0.1 OUTLIER -56.57 -27.75 58.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 99.989999999999995 111.036 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -144.27 -49.36 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 99.989999999999995 110.995 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 117.84 44.16 0.55 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 99.989999999999995 112.497 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -134.2 146.86 50.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.78 0.324 . . . . 99.989999999999995 110.932 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -54.76 112.54 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 99.989999999999995 111.03 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 36.8 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 99.989999999999995 110.966 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 71.0 p . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.799 0.333 . . . . 99.989999999999995 111.17 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . 146.79 -29.06 1.58 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 99.989999999999995 112.543 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 229' ' ' LEU . . . . . 0.437 ' HB2' ' NE1' ' W' ' 557' ' ' TRP . 49.7 tp -48.25 103.34 0.36 Allowed Pre-proline 0 C--N 1.331 -0.22 0 CA-C-O 120.47 0.176 . . . . 99.989999999999995 111.0 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 230' ' ' PRO . . . . . 0.406 ' HG2' ' CZ ' ' W' ' 546' ' ' PHE . 33.5 Cg_exo -58.94 -151.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.219 1.946 . . . . 99.989999999999995 111.648 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 231' ' ' SER . . . . . 0.417 ' O ' ' N ' ' P' ' 233' ' ' ASP . 9.4 p -156.44 152.12 27.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.782 0.325 . . . . 99.989999999999995 110.956 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 232' ' ' TYR . . . . . 0.504 ' CD2' ' CG2' ' W' ' 548' ' ' ILE . 2.5 t80 -55.4 87.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 99.989999999999995 110.735 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 233' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' P' ' 231' ' ' SER . 40.3 t0 -177.99 -66.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 99.989999999999995 110.85 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -96.54 24.96 5.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 99.989999999999995 110.894 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -130.87 41.9 3.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 99.989999999999995 110.995 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 1.2 mp -136.56 -45.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 99.989999999999995 110.837 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 99.989999999999995 110.912 179.956 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' W' W ' 521' ' ' GLY . . . . . 0.777 ' CA ' ' H3 ' ' W' ' 521' ' ' GLY . . . . . . . . 0 N--CA 1.449 -0.475 0 N-CA-C 110.109 -1.196 . . . . 99.989999999999995 110.109 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 522' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 73.2 Cg_endo -74.24 -31.86 7.19 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.585 2.19 . . . . 99.989999999999995 112.239 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -158.34 49.08 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 99.989999999999995 110.951 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -89.0 88.5 1.53 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.703 -0.761 . . . . 99.989999999999995 112.49 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 77.1 p -104.76 -30.63 9.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.841 0.353 . . . . 99.989999999999995 110.932 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . 120.18 153.6 9.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.752 . . . . 99.989999999999995 112.544 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -84.4 82.51 8.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.746 0.308 . . . . 99.989999999999995 111.016 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 69.47 90.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 99.989999999999995 110.947 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 529' ' ' GLU . . . . . 0.422 ' O ' ' CZ ' ' W' ' 561' ' ' ARG . 1.5 tp10 -76.91 135.84 67.07 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.411 . . . . 99.989999999999995 110.769 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_exo -56.61 152.12 42.9 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.579 2.186 . . . . 99.989999999999995 112.608 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 531' ' ' LEU . . . . . 0.475 ' N ' ' CD2' ' W' ' 531' ' ' LEU . 2.1 mm? -80.55 145.31 58.55 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.026 -0.534 . . . . 99.989999999999995 110.506 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 532' ' ' PRO . . . . . 0.438 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 75.0 Cg_exo -48.94 -178.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.603 2.202 . . . . 99.989999999999995 112.798 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 533' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 92.1 Cg_exo -45.5 -43.01 18.15 Favored 'Trans proline' 0 CA--C 1.516 -0.409 0 C-N-CA 123.312 2.675 . . . . 99.989999999999995 114.898 -178.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 534' ' ' ARG . . . . . 0.446 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 13.3 mmm180 -127.43 64.23 1.34 Allowed 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 116.108 -0.496 . . . . 99.989999999999995 111.529 -178.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 535' ' ' TRP . . . . . 0.5 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 67.0 m95 -149.79 160.55 43.47 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.162 0.506 . . . . 99.989999999999995 112.181 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 536' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.3 -156.31 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.448 -0.796 . . . . 99.989999999999995 110.386 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 537' ' ' MET . . . . . . . . . . . . . 26.9 mtp -157.13 131.64 8.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 99.989999999999995 111.034 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 538' ' ' GLN . . . . . 0.41 ' HB3' ' CZ ' ' W' ' 546' ' ' PHE . 0.3 OUTLIER -149.86 150.09 31.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 99.989999999999995 110.953 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 14.4 p -92.45 136.4 24.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 99.989999999999995 110.896 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 540' ' ' ALA . . . . . 0.418 ' HB1' ' CD ' ' P' ' 230' ' ' PRO . . . -106.97 167.1 9.96 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 99.989999999999995 111.157 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.07 -23.26 25.11 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.5 2.134 . . . . 99.989999999999995 111.961 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 542' ' ' ASN . . . . . 0.436 ' ND2' ' HD3' ' W' ' 544' ' ' ARG . 30.5 t30 -51.58 -31.11 23.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 99.989999999999995 110.621 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 122.68 -9.69 9.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.599 -0.81 . . . . 99.989999999999995 113.05 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 544' ' ' ARG . . . . . 0.514 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 0.2 OUTLIER -131.1 153.92 48.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.986 0.422 . . . . 99.989999999999995 111.295 -179.794 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.0 146.56 30.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.88 -0.6 . . . . 99.989999999999995 110.506 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 546' ' ' PHE . . . . . 0.468 ' HB3' ' CZ3' ' W' ' 557' ' ' TRP . 6.3 p90 -118.07 -175.62 2.89 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.148 -0.478 . . . . 99.989999999999995 111.209 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 547' ' ' PHE . . . . . 0.493 ' CZ ' ' CB ' ' W' ' 559' ' ' ASP . 12.1 m-85 -123.2 121.54 36.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.156 0.503 . . . . 99.989999999999995 110.687 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 548' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' W' ' 535' ' ' TRP . 3.7 mp -86.32 140.36 15.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.513 -0.767 . . . . 99.989999999999995 110.481 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 549' ' ' ASP . . . . . 0.441 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 61.3 t0 -121.01 114.44 21.51 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.987 -0.551 . . . . 99.989999999999995 110.872 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 550' ' ' HIS . . . . . 0.447 ' CE1' ' OH ' ' P' ' 232' ' ' TYR . 11.3 m-70 -81.85 -20.08 39.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 99.989999999999995 111.254 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.68 -34.84 79.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.34 . . . . 99.989999999999995 111.255 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.72 3.08 8.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.297 -0.411 . . . . 99.989999999999995 111.787 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 553' ' ' ARG . . . . . 0.479 ' HA ' ' CD2' ' P' ' 232' ' ' TYR . 0.8 OUTLIER 58.24 48.63 12.37 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.742 0.306 . . . . 99.989999999999995 110.877 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -145.36 158.48 43.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.294 -0.412 . . . . 99.989999999999995 110.965 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 555' ' ' THR . . . . . 0.401 ' OG1' ' CD2' ' P' ' 229' ' ' LEU . 61.7 p -110.37 169.81 8.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 99.989999999999995 110.769 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 1.8 t -158.35 160.21 36.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.002 0.43 . . . . 99.989999999999995 111.324 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 557' ' ' TRP . . . . . 0.514 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 20.4 m95 -91.61 15.87 11.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.776 -0.647 . . . . 99.989999999999995 111.392 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -133.28 141.37 44.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.932 0.396 . . . . 99.989999999999995 111.319 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 559' ' ' ASP . . . . . 0.493 ' CB ' ' CZ ' ' W' ' 547' ' ' PHE . 2.2 p30 -84.29 133.2 45.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.986 -0.552 . . . . 99.989999999999995 111.097 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 560' ' ' PRO . . . . . 0.5 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 17.6 Cg_endo -81.91 -32.57 0.77 Allowed 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.334 2.023 . . . . 99.989999999999995 111.632 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 561' ' ' ARG . . . . . 0.422 ' CZ ' ' O ' ' W' ' 529' ' ' GLU . 0.2 OUTLIER -49.7 -25.74 3.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.656 -0.702 . . . . 99.989999999999995 110.889 179.666 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -136.45 -48.16 0.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 99.989999999999995 110.713 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 108.66 44.2 1.16 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.854 -0.689 . . . . 99.989999999999995 112.302 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.17 154.66 50.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 99.989999999999995 110.808 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -68.08 145.83 54.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 99.989999999999995 111.191 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 99.989999999999995 110.781 179.902 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.868 0.366 . . . . 99.989999999999995 111.089 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . -142.54 79.31 0.26 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 99.989999999999995 112.41 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 229' ' ' LEU . . . . . 0.426 ' HB2' ' NE1' ' W' ' 557' ' ' TRP . 0.4 OUTLIER -99.6 106.25 38.81 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.535 0.207 . . . . 99.989999999999995 110.966 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' P' P ' 230' ' ' PRO . . . . . 0.418 ' CD ' ' HB1' ' W' ' 540' ' ' ALA . 14.4 Cg_exo -69.08 104.6 1.24 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.651 2.234 . . . . 99.989999999999995 112.085 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 231' ' ' SER . . . . . 0.403 ' O ' ' N ' ' P' ' 233' ' ' ASP . 6.9 t -54.45 164.5 0.7 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 99.989999999999995 110.989 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 232' ' ' TYR . . . . . 0.479 ' CD2' ' HA ' ' W' ' 553' ' ' ARG . 0.2 OUTLIER -60.86 82.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 99.989999999999995 110.919 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' P' P ' 233' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' P' ' 231' ' ' SER . 0.6 OUTLIER 177.17 -50.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 99.989999999999995 111.003 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -85.07 -28.82 25.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 99.989999999999995 111.025 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 235' ' ' ALA . . . . . 0.405 ' CB ' ' HB2' ' P' ' 230' ' ' PRO . . . -91.29 70.4 6.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 99.989999999999995 111.117 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 5.1 mp -137.46 48.68 2.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.243 -0.435 . . . . 99.989999999999995 110.969 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 8.0 p80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 99.989999999999995 110.859 179.933 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' W' W ' 521' ' ' GLY . . . . . 1.295 ' H1 ' ' N ' ' W' ' 521' ' ' GLY . . . . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 110.116 -1.193 . . . . 99.989999999999995 110.116 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 522' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' W' ' 521' ' ' GLY . 52.9 Cg_exo -54.81 -34.43 85.04 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.599 2.199 . . . . 99.989999999999995 112.29 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.71 37.65 4.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 99.989999999999995 110.947 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -56.04 166.57 3.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.83 -0.7 . . . . 99.989999999999995 112.455 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 22.9 m -106.97 -37.87 6.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 99.989999999999995 110.952 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -130.81 127.12 5.1 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.736 -0.745 . . . . 99.989999999999995 112.58 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -94.36 -59.74 1.88 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.812 0.339 . . . . 99.989999999999995 111.04 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.75 134.29 52.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 99.989999999999995 110.919 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 529' ' ' GLU . . . . . 0.42 ' O ' ' CZ ' ' W' ' 561' ' ' ARG . 10.3 tp10 -99.63 117.2 64.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 99.989999999999995 110.768 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -49.63 138.93 31.77 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.478 2.119 . . . . 99.989999999999995 112.631 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 531' ' ' LEU . . . . . 0.427 ' CD1' ' HA ' ' W' ' 536' ' ' SER . 0.3 OUTLIER -70.73 140.9 86.89 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.973 -0.558 . . . . 99.989999999999995 110.651 179.676 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' W' W ' 532' ' ' PRO . . . . . 0.487 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 95.5 Cg_exo -48.3 -177.66 0.0 OUTLIER 'Trans proline' 0 CA--C 1.534 0.486 0 C-N-CA 122.941 2.427 . . . . 99.989999999999995 112.86 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 533' ' ' PRO . . . . . 0.487 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 51.4 Cg_exo -40.29 -57.33 1.23 Allowed 'Trans proline' 0 CA--C 1.514 -0.5 0 C-N-CA 123.459 2.772 . . . . 99.989999999999995 114.949 -178.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 534' ' ' ARG . . . . . 0.408 ' HB3' ' N ' ' W' ' 551' ' ' ALA . 5.8 mmm180 -121.24 71.49 0.95 Allowed 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.611 -0.722 . . . . 99.989999999999995 111.032 -178.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 535' ' ' TRP . . . . . 0.517 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 80.8 m95 -153.47 153.22 32.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.93 -0.577 . . . . 99.989999999999995 112.06 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 536' ' ' SER . . . . . 0.427 ' HA ' ' CD1' ' W' ' 531' ' ' LEU . 3.2 m -149.69 -173.74 4.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.545 -0.752 . . . . 99.989999999999995 110.305 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 537' ' ' MET . . . . . 0.447 ' SD ' ' CE1' ' W' ' 547' ' ' PHE . 0.0 OUTLIER -145.02 139.04 27.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.896 0.379 . . . . 99.989999999999995 111.072 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' W' W ' 538' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -148.96 154.15 38.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.053 -0.521 . . . . 99.989999999999995 110.719 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 7.6 p -96.93 133.32 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 99.989999999999995 111.325 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 540' ' ' ALA . . . . . 0.451 ' CB ' ' HD2' ' W' ' 541' ' ' PRO . . . -107.53 175.58 1.96 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.064 -0.517 . . . . 99.989999999999995 110.975 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 541' ' ' PRO . . . . . 0.451 ' HD2' ' CB ' ' W' ' 540' ' ' ALA . 73.7 Cg_endo -77.14 -20.24 12.98 Favored 'Trans proline' 0 N--CA 1.463 -0.288 0 C-N-CA 122.458 2.105 . . . . 99.989999999999995 112.019 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -51.17 -36.18 39.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 99.989999999999995 110.569 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 129.03 -12.61 6.09 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.739 -0.743 . . . . 99.989999999999995 112.911 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 544' ' ' ARG . . . . . 0.481 ' HG2' ' CH2' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.44 156.48 45.55 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.976 0.417 . . . . 99.989999999999995 111.453 -179.799 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 1.4 p -83.3 146.84 28.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.813 -0.63 . . . . 99.989999999999995 110.847 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 546' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -120.57 -175.13 2.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.005 -0.543 . . . . 99.989999999999995 110.935 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 547' ' ' PHE . . . . . 0.473 ' CE1' ' HB3' ' W' ' 559' ' ' ASP . 3.1 m-85 -114.67 164.5 13.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 99.989999999999995 110.078 179.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 548' ' ' ILE . . . . . 0.482 HG23 ' CD2' ' P' ' 232' ' ' TYR . 17.4 mt -132.82 107.35 11.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.359 -0.382 . . . . 99.989999999999995 111.306 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 549' ' ' ASP . . . . . 0.485 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 32.7 t0 -79.5 109.26 13.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.333 -0.394 . . . . 99.989999999999995 110.625 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -76.94 -20.25 56.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 99.989999999999995 111.414 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 551' ' ' ALA . . . . . 0.408 ' N ' ' HB3' ' W' ' 534' ' ' ARG . . . -67.8 -50.21 58.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 99.989999999999995 110.881 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.75 -16.21 19.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.03 -0.532 . . . . 99.989999999999995 111.214 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 74.92 53.49 0.08 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.894 0.378 . . . . 99.989999999999995 110.858 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 554' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' W' ' 549' ' ' ASP . 25.3 mtt-85 -143.35 -177.01 5.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.029 -0.532 . . . . 99.989999999999995 110.772 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 555' ' ' THR . . . . . 0.424 ' CG2' HG12 ' W' ' 548' ' ' ILE . 76.7 p -133.62 159.4 40.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.944 0.402 . . . . 99.989999999999995 111.321 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 556' ' ' THR . . . . . 0.401 ' N ' HD13 ' P' ' 229' ' ' LEU . 5.1 t -152.31 164.66 36.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.976 -0.556 . . . . 99.989999999999995 111.071 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 557' ' ' TRP . . . . . 0.481 ' CH2' ' HG2' ' W' ' 544' ' ' ARG . 24.7 m95 -88.05 -18.1 29.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.877 -0.601 . . . . 99.989999999999995 111.469 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 1.2 mp -100.77 147.97 7.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.909 0.385 . . . . 99.989999999999995 111.322 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 559' ' ' ASP . . . . . 0.473 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 2.6 p30 -95.78 145.0 28.78 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.019 -0.537 . . . . 99.989999999999995 111.117 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 560' ' ' PRO . . . . . 0.517 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 12.5 Cg_endo -83.14 -32.63 0.49 Allowed 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 122.45 2.1 . . . . 99.989999999999995 111.888 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 561' ' ' ARG . . . . . 0.42 ' CZ ' ' O ' ' W' ' 529' ' ' GLU . 0.6 OUTLIER -55.29 -24.29 27.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.932 -0.576 . . . . 99.989999999999995 110.93 179.786 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -136.3 -67.0 0.52 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.254 -0.43 . . . . 99.989999999999995 110.625 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 124.63 37.07 0.56 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.808 -0.71 . . . . 99.989999999999995 112.408 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.24 152.11 49.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.837 0.351 . . . . 99.989999999999995 111.042 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -57.99 90.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 99.989999999999995 111.106 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 99.989999999999995 110.852 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.807 0.337 . . . . 99.989999999999995 111.171 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . -138.34 30.91 2.48 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.776 -0.726 . . . . 99.989999999999995 112.505 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 229' ' ' LEU . . . . . 0.444 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 0.4 OUTLIER -107.28 97.88 20.61 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-O 120.613 0.244 . . . . 99.989999999999995 110.994 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo -51.49 -172.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.629 2.219 . . . . 99.989999999999995 112.301 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 2.1 m -106.49 177.18 4.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 99.989999999999995 111.114 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 232' ' ' TYR . . . . . 0.482 ' CD2' HG23 ' W' ' 548' ' ' ILE . 6.9 t80 -70.99 -36.38 72.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.034 -0.53 . . . . 99.989999999999995 111.003 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -80.47 -30.68 37.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.322 -0.399 . . . . 99.989999999999995 111.022 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -96.2 29.85 2.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 99.989999999999995 110.82 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -156.63 60.26 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 99.989999999999995 111.022 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.76 53.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 99.989999999999995 110.833 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 7.4 p80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 99.989999999999995 110.844 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' W' W ' 521' ' ' GLY . . . . . 0.776 ' H1 ' ' CA ' ' W' ' 521' ' ' GLY . . . . . . . . 0 N--CA 1.449 -0.442 0 N-CA-C 110.119 -1.192 . . . . 99.989999999999995 110.119 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 522' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' W' ' 521' ' ' GLY . 39.4 Cg_exo -56.89 -41.44 75.37 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.539 2.159 . . . . 99.989999999999995 112.216 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.08 39.53 1.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 99.989999999999995 110.829 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -139.47 34.56 2.04 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.694 -0.765 . . . . 99.989999999999995 112.5 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.15 99.92 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.791 0.329 . . . . 99.989999999999995 110.79 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -122.65 76.34 0.36 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.656 -0.783 . . . . 99.989999999999995 112.598 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.94 124.81 45.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.717 0.294 . . . . 99.989999999999995 110.813 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -141.74 111.41 6.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.367 -0.379 . . . . 99.989999999999995 111.015 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 529' ' ' GLU . . . . . 0.404 ' O ' ' CZ ' ' W' ' 561' ' ' ARG . 5.2 tp10 -58.91 117.58 22.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 99.989999999999995 110.704 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -57.06 153.87 36.36 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.389 2.06 . . . . 99.989999999999995 112.409 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 531' ' ' LEU . . . . . 0.502 ' CD2' ' CE2' ' W' ' 547' ' ' PHE . 0.2 OUTLIER -70.98 146.54 93.05 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 99.989999999999995 110.223 179.543 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' W' W ' 532' ' ' PRO . . . . . 0.416 ' HG2' ' HG2' ' W' ' 560' ' ' PRO . 74.5 Cg_exo -49.13 -179.6 0.01 OUTLIER 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.348 2.032 . . . . 99.989999999999995 112.563 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 533' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 86.4 Cg_exo -47.45 -40.34 29.14 Favored 'Trans proline' 0 CA--C 1.517 -0.37 0 C-N-CA 123.328 2.685 . . . . 99.989999999999995 115.262 -178.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 534' ' ' ARG . . . . . 0.405 ' HB3' ' HB2' ' W' ' 550' ' ' HIS . 7.7 mmm180 -130.35 61.89 1.59 Allowed 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 116.286 -0.415 . . . . 99.989999999999995 111.723 -178.097 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 535' ' ' TRP . . . . . 0.507 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 65.8 m95 -146.73 165.36 29.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.383 0.611 . . . . 99.989999999999995 112.609 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 536' ' ' SER . . . . . 0.432 ' HA ' ' CD1' ' W' ' 531' ' ' LEU . 3.5 m -153.51 -174.07 4.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.142 -0.935 . . . . 99.989999999999995 110.177 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 537' ' ' MET . . . . . 0.448 ' SD ' ' CE1' ' W' ' 547' ' ' PHE . 0.5 OUTLIER -142.06 144.2 33.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.873 0.368 . . . . 99.989999999999995 111.066 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' W' W ' 538' ' ' GLN . . . . . 0.43 ' HB3' ' CZ ' ' W' ' 546' ' ' PHE . 1.4 tp60 -158.77 140.44 13.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.003 -0.544 . . . . 99.989999999999995 110.897 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 11.7 p -87.95 127.07 41.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 99.989999999999995 111.0 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 540' ' ' ALA . . . . . 0.442 ' HB3' ' CE1' ' W' ' 546' ' ' PHE . . . -96.13 168.91 9.81 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 99.989999999999995 111.17 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.7 -23.12 19.78 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.615 2.21 . . . . 99.989999999999995 111.935 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -50.2 -41.15 49.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.968 -0.56 . . . . 99.989999999999995 110.753 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 135.17 -10.7 4.44 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.706 -0.759 . . . . 99.989999999999995 112.947 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 544' ' ' ARG . . . . . 0.483 ' HG3' ' CZ3' ' W' ' 557' ' ' TRP . 1.2 ptp180 -129.31 158.12 39.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.948 0.404 . . . . 99.989999999999995 111.221 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.77 147.12 24.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.896 -0.593 . . . . 99.989999999999995 110.646 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 546' ' ' PHE . . . . . 0.481 ' HB3' ' CE3' ' W' ' 557' ' ' TRP . 3.3 p90 -119.51 177.58 4.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.085 0.469 . . . . 99.989999999999995 111.473 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 547' ' ' PHE . . . . . 0.502 ' CE2' ' CD2' ' W' ' 531' ' ' LEU . 0.4 OUTLIER -119.88 117.85 29.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.799 -0.637 . . . . 99.989999999999995 110.392 179.622 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' W' W ' 548' ' ' ILE . . . . . 0.502 ' CG2' ' CD2' ' P' ' 232' ' ' TYR . 2.6 mp -81.56 136.07 23.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.809 -0.632 . . . . 99.989999999999995 110.557 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 549' ' ' ASP . . . . . 0.476 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 26.0 t70 -110.21 111.19 22.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 99.989999999999995 110.685 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 550' ' ' HIS . . . . . 0.405 ' HB2' ' HB3' ' W' ' 534' ' ' ARG . 9.7 m-70 -76.7 -28.82 56.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 99.989999999999995 111.11 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -52.91 -55.14 25.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.365 . . . . 99.989999999999995 111.095 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.94 -13.99 15.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.129 -0.487 . . . . 99.989999999999995 111.48 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 553' ' ' ARG . . . . . 0.442 ' HA ' ' CD2' ' P' ' 232' ' ' TYR . 0.4 OUTLIER 75.5 63.85 0.06 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.885 0.374 . . . . 99.989999999999995 110.692 -179.693 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -144.77 -174.8 4.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.035 -0.53 . . . . 99.989999999999995 110.744 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 70.2 p -135.36 162.1 33.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.328 -0.396 . . . . 99.989999999999995 111.076 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 4.2 t -160.26 159.27 31.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.28 -0.418 . . . . 99.989999999999995 111.273 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 557' ' ' TRP . . . . . 0.483 ' CZ3' ' HG3' ' W' ' 544' ' ' ARG . 13.8 m95 -89.2 -10.95 45.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.08 -0.509 . . . . 99.989999999999995 111.851 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 1.3 mt -110.43 129.19 65.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.961 0.41 . . . . 99.989999999999995 111.446 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 559' ' ' ASP . . . . . 0.401 ' HA ' ' HD3' ' W' ' 560' ' ' PRO . 0.9 OUTLIER -71.07 142.62 87.72 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 115.977 -0.556 . . . . 99.989999999999995 111.017 -179.783 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' W' W ' 560' ' ' PRO . . . . . 0.507 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 11.1 Cg_endo -81.78 -32.45 0.83 Allowed 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.365 2.044 . . . . 99.989999999999995 111.909 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 561' ' ' ARG . . . . . 0.404 ' CZ ' ' O ' ' W' ' 529' ' ' GLU . 1.0 OUTLIER -58.46 -22.61 55.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.954 -0.567 . . . . 99.989999999999995 110.946 179.835 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -125.84 -65.81 0.97 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.238 -0.437 . . . . 99.989999999999995 110.617 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 118.18 36.19 0.96 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.807 -0.711 . . . . 99.989999999999995 112.302 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 -141.11 155.99 46.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.826 0.346 . . . . 99.989999999999995 110.877 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -53.55 132.84 40.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 99.989999999999995 111.038 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 12.9 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 99.989999999999995 111.094 -179.915 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.77 0.319 . . . . 99.989999999999995 111.23 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . 135.95 -24.17 3.31 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.758 -0.734 . . . . 99.989999999999995 112.503 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 229' ' ' LEU . . . . . 0.427 ' HB2' ' NE1' ' W' ' 557' ' ' TRP . 40.1 tp -58.72 108.09 1.2 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.47 0.176 . . . . 99.989999999999995 110.864 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -59.91 -153.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.367 2.045 . . . . 99.989999999999995 111.941 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 231' ' ' SER . . . . . 0.422 ' O ' ' N ' ' P' ' 233' ' ' ASP . 13.0 m -145.66 161.81 39.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.35 -0.386 . . . . 99.989999999999995 110.997 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 232' ' ' TYR . . . . . 0.502 ' CD2' ' CG2' ' W' ' 548' ' ' ILE . 1.3 t80 -63.68 76.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 99.989999999999995 110.768 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 233' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' P' ' 231' ' ' SER . 0.3 OUTLIER 176.29 -39.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 99.989999999999995 110.644 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -99.76 42.04 1.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 99.989999999999995 110.708 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -173.65 36.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 99.989999999999995 111.08 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 2.5 tt -137.2 86.46 2.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.473 . . . . 99.989999999999995 110.796 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 15.3 m80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 99.989999999999995 110.93 -179.959 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' W' W ' 521' ' ' GLY . . . . . 1.315 ' N ' ' H3 ' ' W' ' 521' ' ' GLY . . . . . . . . 0 N--CA 1.449 -0.469 0 N-CA-C 110.093 -1.203 . . . . 99.989999999999995 110.093 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 522' ' ' PRO . . . . . 0.554 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 68.6 Cg_endo -74.38 175.87 10.42 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.66 2.24 . . . . 99.989999999999995 112.368 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.37 69.92 0.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 99.989999999999995 110.888 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . 53.49 178.01 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.738 . . . . 99.989999999999995 112.454 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.78 -24.39 33.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.745 0.307 . . . . 99.989999999999995 110.872 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . 59.18 176.12 0.83 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.658 -0.782 . . . . 99.989999999999995 112.421 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.23 -80.99 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.899 0.381 . . . . 99.989999999999995 110.942 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.24 141.42 44.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 99.989999999999995 110.908 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 529' ' ' GLU . . . . . 0.426 ' O ' ' CZ ' ' W' ' 561' ' ' ARG . 0.3 OUTLIER -52.91 132.65 48.73 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 99.989999999999995 110.869 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -59.33 140.61 95.3 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.496 2.13 . . . . 99.989999999999995 112.516 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 531' ' ' LEU . . . . . 0.438 ' CD2' ' HG2' ' W' ' 537' ' ' MET . 0.3 OUTLIER -72.12 146.93 90.44 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 99.989999999999995 110.372 179.317 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' W' W ' 532' ' ' PRO . . . . . 0.454 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 71.0 Cg_exo -49.66 -177.76 0.01 OUTLIER 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.375 2.05 . . . . 99.989999999999995 112.378 -179.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 533' ' ' PRO . . . . . 0.454 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 56.2 Cg_exo -41.82 -48.35 5.99 Favored 'Trans proline' 0 CA--C 1.516 -0.389 0 C-N-CA 123.397 2.732 . . . . 99.989999999999995 115.206 -178.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 534' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -129.38 68.73 1.41 Allowed 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.825 -0.625 . . . . 99.989999999999995 111.079 -178.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 535' ' ' TRP . . . . . 0.523 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 64.7 m95 -148.03 155.44 41.5 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.977 0.732 . . . . 99.989999999999995 112.977 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 536' ' ' SER . . . . . 0.437 ' HA ' ' CD1' ' W' ' 531' ' ' LEU . 4.8 m -152.33 -173.65 4.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.79 -1.095 . . . . 99.989999999999995 109.514 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 537' ' ' MET . . . . . 0.438 ' HG2' ' CD2' ' W' ' 531' ' ' LEU . 0.0 OUTLIER -159.14 130.05 6.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.087 0.47 . . . . 99.989999999999995 111.583 179.504 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' W' W ' 538' ' ' GLN . . . . . 0.479 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 1.3 mt-30 -133.69 145.26 49.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.588 -0.733 . . . . 99.989999999999995 110.288 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 539' ' ' VAL . . . . . 0.426 ' HA ' ' CG2' ' W' ' 545' ' ' THR . 12.9 p -75.49 129.85 36.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.437 -0.347 . . . . 99.989999999999995 110.954 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 540' ' ' ALA . . . . . 0.442 ' HB3' ' CD ' ' P' ' 230' ' ' PRO . . . -97.85 169.89 7.88 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 99.989999999999995 111.239 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.25 -21.88 13.2 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.553 2.169 . . . . 99.989999999999995 111.792 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -52.82 -49.01 66.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.058 -0.519 . . . . 99.989999999999995 110.83 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 148.69 -15.67 1.22 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.403 -0.904 . . . . 99.989999999999995 113.098 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 544' ' ' ARG . . . . . 0.494 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.29 152.29 50.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.0 0.429 . . . . 99.989999999999995 111.477 -179.76 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' W' W ' 545' ' ' THR . . . . . 0.426 ' CG2' ' HA ' ' W' ' 539' ' ' VAL . 0.8 OUTLIER -77.44 146.89 36.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.913 -0.585 . . . . 99.989999999999995 110.962 179.699 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' W' W ' 546' ' ' PHE . . . . . 0.479 ' CE1' ' O ' ' W' ' 538' ' ' GLN . 7.6 p90 -121.21 167.67 12.44 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.132 -0.486 . . . . 99.989999999999995 111.145 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 547' ' ' PHE . . . . . 0.466 ' CD2' ' CD ' ' W' ' 560' ' ' PRO . 3.5 m-85 -108.33 126.5 52.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.079 0.466 . . . . 99.989999999999995 111.225 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 548' ' ' ILE . . . . . . . . . . . . . 3.1 mp -86.52 135.0 26.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.763 -0.653 . . . . 99.989999999999995 111.029 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 549' ' ' ASP . . . . . 0.484 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 41.3 t0 -115.02 106.5 14.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.962 -0.563 . . . . 99.989999999999995 110.656 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -76.43 -39.4 53.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 99.989999999999995 111.161 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -55.51 -28.23 53.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.324 -0.398 . . . . 99.989999999999995 111.182 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.92 -11.75 9.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 99.989999999999995 111.706 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 553' ' ' ARG . . . . . 0.449 ' HA ' ' CD2' ' P' ' 232' ' ' TYR . 24.8 mmt85 65.21 37.76 6.34 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.763 0.316 . . . . 99.989999999999995 110.843 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -139.56 152.97 47.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 99.989999999999995 110.855 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 60.6 p -103.76 168.83 8.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.499 . . . . 99.989999999999995 110.993 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 556' ' ' THR . . . . . 0.431 ' CA ' HD12 ' P' ' 229' ' ' LEU . 1.5 t -158.86 157.01 30.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.055 0.455 . . . . 99.989999999999995 111.355 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 557' ' ' TRP . . . . . 0.494 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 17.3 m95 -80.63 -21.21 41.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.712 -0.676 . . . . 99.989999999999995 111.519 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 1.2 mt -103.58 143.52 15.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.92 0.39 . . . . 99.989999999999995 111.547 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 559' ' ' ASP . . . . . 0.406 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 3.0 p30 -87.91 145.82 37.41 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 115.948 -0.569 . . . . 99.989999999999995 110.981 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 560' ' ' PRO . . . . . 0.523 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 15.8 Cg_endo -84.6 -31.83 0.42 Allowed 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.565 2.177 . . . . 99.989999999999995 112.224 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 561' ' ' ARG . . . . . 0.426 ' CZ ' ' O ' ' W' ' 529' ' ' GLU . 0.6 OUTLIER -52.5 -23.32 6.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.017 -0.538 . . . . 99.989999999999995 111.047 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -137.93 -46.07 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.395 -0.366 . . . . 99.989999999999995 110.673 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 103.91 37.84 2.86 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.878 -0.677 . . . . 99.989999999999995 112.39 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.68 151.98 51.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 99.989999999999995 110.869 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -60.39 143.33 53.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 99.989999999999995 110.982 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.438 . . . . 99.989999999999995 110.913 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.813 0.339 . . . . 99.989999999999995 111.146 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . 173.81 -97.17 0.11 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.833 -0.699 . . . . 99.989999999999995 112.466 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 229' ' ' LEU . . . . . 0.493 ' N ' ' CZ2' ' W' ' 557' ' ' TRP . 16.0 tp 66.25 74.89 0.35 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.71 0.291 . . . . 99.989999999999995 111.076 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 230' ' ' PRO . . . . . 0.442 ' CD ' ' HB3' ' W' ' 540' ' ' ALA . 47.2 Cg_exo -55.82 95.08 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.579 2.186 . . . . 99.989999999999995 111.963 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.87 170.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 99.989999999999995 111.222 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 232' ' ' TYR . . . . . 0.449 ' CD2' ' HA ' ' W' ' 553' ' ' ARG . 0.7 OUTLIER -66.24 73.07 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.927 -0.579 . . . . 99.989999999999995 111.046 -179.885 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -174.78 -39.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.43 . . . . 99.989999999999995 110.876 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -113.26 21.37 15.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 99.989999999999995 111.063 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -106.93 -67.69 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.45 -0.341 . . . . 99.989999999999995 111.079 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 236' ' ' LEU . . . . . 0.416 ' CD1' ' CE1' ' P' ' 232' ' ' TYR . 0.8 OUTLIER -67.29 142.85 56.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 99.989999999999995 110.982 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 99.989999999999995 111.019 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 521' ' ' GLY . . . . . 0.781 ' H2 ' ' CA ' ' W' ' 521' ' ' GLY . . . . . . . . 0 N--CA 1.449 -0.448 0 N-CA-C 110.101 -1.2 . . . . 99.989999999999995 110.101 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 522' ' ' PRO . . . . . 0.644 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 35.1 Cg_endo -65.32 -177.48 0.66 Allowed 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.564 2.176 . . . . 99.989999999999995 112.192 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 4.9 mp -57.24 -41.13 79.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 99.989999999999995 110.888 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . 133.16 -54.7 0.77 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.798 -0.715 . . . . 99.989999999999995 112.497 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 88.4 p -71.09 92.45 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.369 . . . . 99.989999999999995 110.856 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -116.46 71.35 0.27 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.781 -0.723 . . . . 99.989999999999995 112.482 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -86.73 -28.26 23.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 99.989999999999995 110.87 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -179.42 -37.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 99.989999999999995 110.993 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 529' ' ' GLU . . . . . 0.434 ' CG ' ' HD3' ' W' ' 561' ' ' ARG . 4.3 tp10 68.72 90.9 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.854 -0.612 . . . . 99.989999999999995 110.724 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -68.7 133.95 28.97 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.567 2.178 . . . . 99.989999999999995 112.679 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 531' ' ' LEU . . . . . 0.412 ' CD1' ' HA ' ' W' ' 536' ' ' SER . 0.0 OUTLIER -39.0 138.73 0.8 Allowed Pre-proline 0 N--CA 1.472 0.673 0 CA-C-N 115.963 -0.562 . . . . 99.989999999999995 111.376 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' W' W ' 532' ' ' PRO . . . . . 0.463 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 53.8 Cg_exo -51.61 -175.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.521 2.147 . . . . 99.989999999999995 113.015 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 533' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 16.5 Cg_exo -72.19 -2.78 12.15 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 123.534 2.823 . . . . 99.989999999999995 115.048 -178.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 534' ' ' ARG . . . . . 0.445 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 13.6 mmt180 -149.14 39.77 0.85 Allowed 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 120.084 -0.647 . . . . 99.989999999999995 111.75 -178.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 535' ' ' TRP . . . . . 0.526 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 30.0 m95 -140.89 170.0 16.56 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.17 0.509 . . . . 99.989999999999995 112.097 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 536' ' ' SER . . . . . 0.438 ' HB3' ' CD1' ' W' ' 548' ' ' ILE . 0.1 OUTLIER -137.13 -158.88 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.398 -0.819 . . . . 99.989999999999995 110.29 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' W' W ' 537' ' ' MET . . . . . . . . . . . . . 20.0 mtp -159.15 132.33 7.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.403 -0.362 . . . . 99.989999999999995 110.925 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 538' ' ' GLN . . . . . 0.416 ' HG3' ' N ' ' W' ' 539' ' ' VAL . 0.4 OUTLIER -167.3 146.07 4.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.307 -0.406 . . . . 99.989999999999995 111.114 -179.839 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' W' W ' 539' ' ' VAL . . . . . 0.416 ' N ' ' HG3' ' W' ' 538' ' ' GLN . 7.6 p -88.31 111.76 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.046 -0.524 . . . . 99.989999999999995 110.622 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 540' ' ' ALA . . . . . 0.407 ' CB ' ' HD2' ' W' ' 541' ' ' PRO . . . -71.31 167.49 29.4 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.174 -0.467 . . . . 99.989999999999995 111.397 -179.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 541' ' ' PRO . . . . . 0.407 ' HD2' ' CB ' ' W' ' 540' ' ' ALA . 42.4 Cg_endo -67.51 -24.76 41.91 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.55 2.167 . . . . 99.989999999999995 111.673 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 542' ' ' ASN . . . . . 0.423 ' ND2' ' HA ' ' P' ' 227' ' ' THR . 56.3 t30 -52.68 -30.37 31.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.893 -0.594 . . . . 99.989999999999995 110.523 179.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 118.98 -10.42 11.99 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.756 -0.735 . . . . 99.989999999999995 113.025 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 544' ' ' ARG . . . . . 0.529 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 12.0 ptp180 -122.63 156.44 34.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.923 0.362 . . . . 99.989999999999995 111.075 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 545' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' W' ' 539' ' ' VAL . 1.2 p -80.98 145.44 31.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 99.989999999999995 110.797 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 546' ' ' PHE . . . . . 0.486 ' HB3' ' CZ3' ' W' ' 557' ' ' TRP . 20.2 p90 -124.68 179.12 5.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.096 -0.502 . . . . 99.989999999999995 110.748 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 547' ' ' PHE . . . . . 0.511 ' CD1' ' CD ' ' W' ' 560' ' ' PRO . 0.7 OUTLIER -124.77 119.96 30.4 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.027 -0.533 . . . . 99.989999999999995 110.595 179.284 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' W' W ' 548' ' ' ILE . . . . . 0.528 ' CG2' ' CD2' ' P' ' 232' ' ' TYR . 3.0 mt -78.97 136.49 23.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.711 -0.677 . . . . 99.989999999999995 110.512 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -106.21 103.23 12.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.963 -0.562 . . . . 99.989999999999995 111.09 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 550' ' ' HIS . . . . . 0.441 ' CE1' ' OH ' ' P' ' 232' ' ' TYR . 12.6 m-70 -71.57 -24.63 61.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.963 -0.562 . . . . 99.989999999999995 110.667 179.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -55.41 -37.33 67.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.225 -0.443 . . . . 99.989999999999995 111.194 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.9 15.83 3.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 99.989999999999995 111.504 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? 53.8 66.69 1.16 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.731 0.301 . . . . 99.989999999999995 111.04 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -146.79 -161.78 1.4 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.313 -0.403 . . . . 99.989999999999995 111.116 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 47.3 p -151.2 173.17 14.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 99.989999999999995 111.032 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 2.7 t -166.93 159.78 13.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.92 0.39 . . . . 99.989999999999995 111.482 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 557' ' ' TRP . . . . . 0.529 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 15.8 m95 -88.91 15.22 8.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.987 -0.551 . . . . 99.989999999999995 111.459 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 558' ' ' ILE . . . . . 0.407 HG21 HD11 ' W' ' 558' ' ' ILE . 5.8 mm -130.92 138.64 53.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.003 0.43 . . . . 99.989999999999995 111.741 -178.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 559' ' ' ASP . . . . . 0.477 ' HA ' ' CD2' ' W' ' 547' ' ' PHE . 2.2 p30 -76.31 135.26 69.54 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.868 -0.605 . . . . 99.989999999999995 111.027 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 560' ' ' PRO . . . . . 0.526 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 74.1 Cg_endo -77.56 -30.75 3.76 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.595 2.197 . . . . 99.989999999999995 112.063 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 561' ' ' ARG . . . . . 0.434 ' HD3' ' CG ' ' W' ' 529' ' ' GLU . 0.5 OUTLIER -54.02 -28.04 35.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.992 -0.549 . . . . 99.989999999999995 110.991 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -135.87 -69.86 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 99.989999999999995 110.658 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 133.84 41.06 0.17 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.73 . . . . 99.989999999999995 112.524 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -127.32 154.0 45.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 99.989999999999995 110.947 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -59.42 89.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 99.989999999999995 111.069 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 39.7 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 99.989999999999995 110.862 179.915 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' P' P ' 227' ' ' THR . . . . . 0.423 ' HA ' ' ND2' ' W' ' 542' ' ' ASN . 4.9 t . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.886 0.374 . . . . 99.989999999999995 111.071 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . -137.81 -83.86 0.12 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.616 -0.802 . . . . 99.989999999999995 112.609 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 229' ' ' LEU . . . . . 0.488 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 18.2 tp 68.95 93.47 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.653 0.263 . . . . 99.989999999999995 110.888 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -57.31 -153.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.529 2.153 . . . . 99.989999999999995 111.869 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 3.4 t -157.5 49.65 0.43 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.349 . . . . 99.989999999999995 111.105 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 232' ' ' TYR . . . . . 0.528 ' CD2' ' CG2' ' W' ' 548' ' ' ILE . 0.5 OUTLIER 51.99 52.35 14.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 99.989999999999995 110.671 179.857 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -159.56 -55.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 99.989999999999995 110.899 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -105.14 58.03 0.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 99.989999999999995 110.964 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -176.35 49.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 99.989999999999995 110.931 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.4 57.39 1.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 99.989999999999995 110.681 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 4.6 m170 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 99.989999999999995 110.91 -179.88 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' W' W ' 521' ' ' GLY . . . . . 1.152 ' H1 ' ' N ' ' W' ' 521' ' ' GLY . . . . . . . . 0 N--CA 1.449 -0.484 0 N-CA-C 110.113 -1.195 . . . . 99.989999999999995 110.113 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 522' ' ' PRO . . . . . 0.627 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 38.0 Cg_endo -66.44 -167.24 0.12 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.562 2.175 . . . . 99.989999999999995 112.302 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 25.7 mt -80.73 90.85 5.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 99.989999999999995 111.008 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -142.43 147.56 19.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 99.989999999999995 112.37 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.93 98.12 6.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.859 0.361 . . . . 99.989999999999995 110.986 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . 94.99 164.94 35.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.728 . . . . 99.989999999999995 112.523 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -77.0 76.69 3.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.714 0.292 . . . . 99.989999999999995 110.88 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.56 121.54 42.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 99.989999999999995 110.982 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 529' ' ' GLU . . . . . 0.413 ' O ' ' CZ ' ' W' ' 561' ' ' ARG . 20.7 tt0 -77.06 116.96 61.83 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 99.989999999999995 110.821 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.46 178.44 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.384 2.056 . . . . 99.989999999999995 112.413 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 531' ' ' LEU . . . . . 0.441 ' CD2' ' HG3' ' W' ' 537' ' ' MET . 0.0 OUTLIER -93.16 149.58 37.71 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 99.989999999999995 110.223 179.877 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' W' W ' 532' ' ' PRO . . . . . 0.443 ' HG2' ' HG2' ' W' ' 560' ' ' PRO . 85.6 Cg_exo -47.9 -179.29 0.01 OUTLIER 'Trans proline' 0 CA--C 1.531 0.361 0 C-N-CA 122.703 2.269 . . . . 99.989999999999995 113.329 -179.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 533' ' ' PRO . . . . . 0.439 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 87.1 Cg_exo -46.92 -44.09 23.21 Favored 'Trans proline' 0 CA--C 1.514 -0.501 0 C-N-CA 123.447 2.765 . . . . 99.989999999999995 114.946 -178.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 534' ' ' ARG . . . . . 0.47 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 17.2 mmm180 -122.8 65.87 0.96 Allowed 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.984 -0.553 . . . . 99.989999999999995 111.781 -178.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 535' ' ' TRP . . . . . 0.507 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 63.9 m95 -149.92 162.4 40.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.322 0.582 . . . . 99.989999999999995 112.273 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 536' ' ' SER . . . . . 0.433 ' HA ' ' CD1' ' W' ' 531' ' ' LEU . 3.8 m -154.66 -174.43 4.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.206 -0.906 . . . . 99.989999999999995 110.226 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 537' ' ' MET . . . . . 0.441 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 17.9 mtm -141.31 151.31 43.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.042 0.449 . . . . 99.989999999999995 111.402 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 538' ' ' GLN . . . . . 0.467 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 0.4 OUTLIER -165.41 138.54 4.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.728 -0.669 . . . . 99.989999999999995 110.494 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 13.3 p -78.48 139.97 17.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.884 0.374 . . . . 99.989999999999995 111.154 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 540' ' ' ALA . . . . . 0.441 ' CB ' ' HD2' ' W' ' 541' ' ' PRO . . . -110.19 171.49 4.34 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.093 -0.503 . . . . 99.989999999999995 111.176 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 541' ' ' PRO . . . . . 0.441 ' HD2' ' CB ' ' W' ' 540' ' ' ALA . 61.4 Cg_endo -73.39 -22.53 18.53 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.538 2.158 . . . . 99.989999999999995 111.824 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -51.79 -41.24 61.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.01 -0.541 . . . . 99.989999999999995 110.762 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 135.39 -12.55 4.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.593 -0.813 . . . . 99.989999999999995 113.009 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 544' ' ' ARG . . . . . 0.489 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 1.0 OUTLIER -131.24 158.12 41.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.97 0.414 . . . . 99.989999999999995 111.441 -179.841 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.36 147.26 28.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.868 -0.606 . . . . 99.989999999999995 110.53 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 546' ' ' PHE . . . . . 0.467 ' CE1' ' O ' ' W' ' 538' ' ' GLN . 4.2 p90 -119.61 -178.06 3.53 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.199 -0.455 . . . . 99.989999999999995 111.435 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 547' ' ' PHE . . . . . 0.489 ' CD2' ' HD3' ' W' ' 560' ' ' PRO . 1.4 m-85 -115.98 133.53 55.93 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.931 -0.577 . . . . 99.989999999999995 110.166 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 548' ' ' ILE . . . . . 0.423 ' O ' ' HA ' ' W' ' 535' ' ' TRP . 4.1 mp -94.44 136.82 24.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.872 -0.604 . . . . 99.989999999999995 110.707 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 549' ' ' ASP . . . . . 0.421 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 28.5 t0 -115.71 112.88 22.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.927 -0.579 . . . . 99.989999999999995 110.969 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 550' ' ' HIS . . . . . 0.401 ' CD2' ' N ' ' W' ' 550' ' ' HIS . 6.5 m-70 -86.5 -27.63 23.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.117 -0.492 . . . . 99.989999999999995 110.746 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -55.88 -25.5 42.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.025 -0.534 . . . . 99.989999999999995 111.186 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.34 15.42 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.419 . . . . 99.989999999999995 111.508 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? 49.21 72.25 0.31 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.837 0.351 . . . . 99.989999999999995 111.081 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -154.84 -167.51 2.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 99.989999999999995 110.893 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 74.7 p -150.38 169.86 20.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.021 -0.536 . . . . 99.989999999999995 110.858 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 1.8 t -162.23 162.81 28.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.973 0.416 . . . . 99.989999999999995 111.198 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 557' ' ' TRP . . . . . 0.489 ' CE2' ' HB2' ' P' ' 229' ' ' LEU . 14.6 m95 -87.23 -19.62 28.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.925 -0.58 . . . . 99.989999999999995 111.811 -179.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 558' ' ' ILE . . . . . 0.409 HG22 HD11 ' W' ' 558' ' ' ILE . 5.0 mm -109.57 139.33 33.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.979 0.418 . . . . 99.989999999999995 111.519 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 559' ' ' ASP . . . . . 0.42 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 0.8 OUTLIER -74.42 141.51 76.9 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.875 -0.602 . . . . 99.989999999999995 111.118 -179.588 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' W' W ' 560' ' ' PRO . . . . . 0.507 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 34.5 Cg_endo -86.19 -20.7 2.71 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 122.662 2.241 . . . . 99.989999999999995 112.233 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 561' ' ' ARG . . . . . 0.413 ' CZ ' ' O ' ' W' ' 529' ' ' GLU . 0.7 OUTLIER -49.41 -27.25 3.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.054 -0.521 . . . . 99.989999999999995 111.061 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -158.96 -43.01 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 99.989999999999995 110.893 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 125.11 52.24 0.18 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.592 -0.813 . . . . 99.989999999999995 112.733 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 10.0 mtt-85 -131.79 139.85 49.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.784 0.326 . . . . 99.989999999999995 110.777 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.54 130.46 43.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 99.989999999999995 111.102 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 99.989999999999995 110.902 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.851 0.357 . . . . 99.989999999999995 111.16 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . -119.88 -113.62 2.43 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.702 -0.761 . . . . 99.989999999999995 112.481 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 229' ' ' LEU . . . . . 0.489 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 16.7 tp 70.35 75.29 0.25 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 120.731 0.3 . . . . 99.989999999999995 111.289 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 230' ' ' PRO . . . . . 0.423 ' CD ' ' HB3' ' W' ' 540' ' ' ALA . 26.2 Cg_exo -62.29 113.13 1.78 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.671 2.247 . . . . 99.989999999999995 111.93 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.38 161.96 2.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.981 0.42 . . . . 99.989999999999995 111.127 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 232' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -54.97 92.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.017 -0.538 . . . . 99.989999999999995 110.965 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 173.59 -67.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 99.989999999999995 110.95 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.97 -32.71 74.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 99.989999999999995 110.935 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -97.93 79.69 2.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.343 -0.39 . . . . 99.989999999999995 111.116 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.59 25.71 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 99.989999999999995 110.976 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 99.989999999999995 110.848 179.929 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' W' W ' 521' ' ' GLY . . . . . 0.779 ' H1 ' ' CA ' ' W' ' 521' ' ' GLY . . . . . . . . 0 N--CA 1.449 -0.47 0 N-CA-C 110.107 -1.197 . . . . 99.989999999999995 110.107 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 522' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 55.5 Cg_endo -70.18 -41.05 4.04 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.629 2.219 . . . . 99.989999999999995 112.251 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -139.78 151.54 45.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.434 . . . . 99.989999999999995 110.847 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . 170.93 -58.9 0.18 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 99.989999999999995 112.549 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 20.2 m -77.15 137.05 38.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.787 0.327 . . . . 99.989999999999995 110.916 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . 157.68 130.68 1.23 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.727 -0.749 . . . . 99.989999999999995 112.479 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 71.27 69.91 0.17 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.843 0.354 . . . . 99.989999999999995 110.974 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 69.54 124.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 99.989999999999995 111.017 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 529' ' ' GLU . . . . . 0.417 ' CB ' ' HD3' ' W' ' 561' ' ' ARG . 5.8 tp10 -69.59 129.91 90.99 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.222 -0.445 . . . . 99.989999999999995 110.662 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -82.25 49.75 3.22 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.602 2.201 . . . . 99.989999999999995 112.943 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 531' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 58.82 112.49 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.691 -0.231 . . . . 99.989999999999995 110.767 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 532' ' ' PRO . . . . . 0.491 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 88.5 Cg_exo -47.37 179.22 0.01 OUTLIER 'Trans proline' 0 CA--C 1.532 0.424 0 C-N-CA 122.77 2.313 . . . . 99.989999999999995 112.62 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 533' ' ' PRO . . . . . 0.491 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 35.2 Cg_exo -35.85 -62.17 0.25 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.388 2.725 . . . . 99.989999999999995 114.602 -178.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 534' ' ' ARG . . . . . 0.48 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 19.8 mmt85 -115.69 71.92 0.79 Allowed 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.755 -0.657 . . . . 99.989999999999995 110.547 -179.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 535' ' ' TRP . . . . . 0.536 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 87.0 m95 -157.48 151.49 24.49 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.942 -0.572 . . . . 99.989999999999995 111.845 -179.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 536' ' ' SER . . . . . . . . . . . . . 3.4 m -147.81 -173.76 4.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.469 -0.787 . . . . 99.989999999999995 110.286 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 537' ' ' MET . . . . . 0.448 ' SD ' ' CE1' ' W' ' 547' ' ' PHE . 0.2 OUTLIER -143.53 127.73 17.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.95 0.405 . . . . 99.989999999999995 110.965 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' W' W ' 538' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -140.41 143.85 35.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 99.989999999999995 110.927 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 5.6 p -88.46 129.12 40.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 99.989999999999995 110.953 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 540' ' ' ALA . . . . . 0.469 ' HB2' ' CD1' ' W' ' 546' ' ' PHE . . . -102.56 172.59 4.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 99.989999999999995 111.22 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 541' ' ' PRO . . . . . 0.419 ' HD2' ' CB ' ' W' ' 540' ' ' ALA . 73.0 Cg_endo -76.63 -22.18 12.28 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.64 2.227 . . . . 99.989999999999995 112.054 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -50.03 -40.83 46.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.027 -0.533 . . . . 99.989999999999995 110.791 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 136.38 -14.16 3.99 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.598 -0.811 . . . . 99.989999999999995 112.979 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 544' ' ' ARG . . . . . 0.523 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 11.1 ptp180 -130.9 156.87 44.33 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.898 0.38 . . . . 99.989999999999995 111.264 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.89 146.94 30.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.954 -0.566 . . . . 99.989999999999995 111.05 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 546' ' ' PHE . . . . . 0.491 ' HB3' ' CZ3' ' W' ' 557' ' ' TRP . 7.9 p90 -125.93 158.7 34.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.088 -0.506 . . . . 99.989999999999995 111.198 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 547' ' ' PHE . . . . . 0.489 ' CE1' ' HB3' ' W' ' 559' ' ' ASP . 2.3 m-85 -93.48 157.2 16.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.116 -0.493 . . . . 99.989999999999995 110.253 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 548' ' ' ILE . . . . . 0.42 ' O ' ' HA ' ' W' ' 535' ' ' TRP . 10.8 mt -125.1 107.22 17.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.755 0.312 . . . . 99.989999999999995 111.455 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 549' ' ' ASP . . . . . 0.497 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 31.3 t0 -76.19 109.47 9.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 99.989999999999995 110.807 179.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -72.53 -15.8 61.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 99.989999999999995 111.382 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.64 -48.3 72.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.799 0.333 . . . . 99.989999999999995 111.034 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.05 17.68 10.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 99.989999999999995 111.203 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 553' ' ' ARG . . . . . 0.482 ' HA ' ' CD2' ' P' ' 232' ' ' TYR . 0.1 OUTLIER 48.86 51.08 16.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.827 0.346 . . . . 99.989999999999995 111.031 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -120.81 173.02 7.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 99.989999999999995 110.535 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 27.0 p -135.52 152.02 50.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.038 0.447 . . . . 99.989999999999995 112.011 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 2.5 t -147.87 158.14 43.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.715 -0.675 . . . . 99.989999999999995 110.813 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 557' ' ' TRP . . . . . 0.523 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 17.3 m95 -80.23 -11.56 59.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.048 -0.523 . . . . 99.989999999999995 111.96 -179.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.3 mm -112.89 154.17 14.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.063 0.459 . . . . 99.989999999999995 111.875 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 559' ' ' ASP . . . . . 0.489 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 2.3 p30 -95.66 144.0 27.08 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 115.793 -0.64 . . . . 99.989999999999995 111.227 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 560' ' ' PRO . . . . . 0.536 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 28.3 Cg_endo -86.09 -25.16 1.49 Allowed 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.574 2.183 . . . . 99.989999999999995 112.21 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 561' ' ' ARG . . . . . 0.417 ' HD3' ' CB ' ' W' ' 529' ' ' GLU . 0.3 OUTLIER -53.33 -23.56 9.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.96 -0.564 . . . . 99.989999999999995 110.94 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -149.77 -50.59 0.14 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.255 -0.429 . . . . 99.989999999999995 110.491 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 121.09 36.84 0.73 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 99.989999999999995 112.388 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -124.26 154.4 40.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.851 0.357 . . . . 99.989999999999995 110.844 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -55.37 135.79 49.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 99.989999999999995 111.199 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 99.989999999999995 110.95 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.77 0.319 . . . . 99.989999999999995 111.152 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . -92.12 -95.11 1.37 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.644 -0.789 . . . . 99.989999999999995 112.501 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 229' ' ' LEU . . . . . 0.491 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 4.3 tp 58.31 78.38 0.36 Allowed Pre-proline 0 C--N 1.327 -0.39 0 CA-C-O 120.695 0.283 . . . . 99.989999999999995 111.066 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 230' ' ' PRO . . . . . 0.416 ' HB3' ' N ' ' P' ' 235' ' ' ALA . 81.1 Cg_exo -46.76 115.61 1.31 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.235 1.957 . . . . 99.989999999999995 111.752 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 93.7 p -70.27 61.42 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 99.989999999999995 111.379 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 232' ' ' TYR . . . . . 0.482 ' CD2' ' HA ' ' W' ' 553' ' ' ARG . 3.0 t80 66.74 -66.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.357 -0.383 . . . . 99.989999999999995 111.281 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -48.53 -54.72 13.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.43 -0.35 . . . . 99.989999999999995 111.104 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -73.01 -25.15 60.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 99.989999999999995 110.866 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 235' ' ' ALA . . . . . 0.416 ' N ' ' HB3' ' P' ' 230' ' ' PRO . . . -57.83 -56.71 18.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 99.989999999999995 111.098 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.03 -57.57 8.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 99.989999999999995 110.885 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 3.1 p80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 99.989999999999995 110.907 -179.922 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' W' W ' 521' ' ' GLY . . . . . 1.179 ' H1 ' ' N ' ' W' ' 521' ' ' GLY . . . . . . . . 0 N--CA 1.449 -0.454 0 N-CA-C 110.104 -1.199 . . . . 99.989999999999995 110.104 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 522' ' ' PRO . . . . . 0.645 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 37.5 Cg_endo -65.94 -49.92 1.91 Allowed 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.667 2.244 . . . . 99.989999999999995 112.167 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 4.3 tt -177.64 125.81 0.13 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 99.989999999999995 110.888 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . 146.05 149.86 5.08 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.85 -0.691 . . . . 99.989999999999995 112.476 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.77 91.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 99.989999999999995 110.884 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -145.38 146.56 16.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.725 -0.75 . . . . 99.989999999999995 112.522 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.84 -43.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.8 0.333 . . . . 99.989999999999995 110.951 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -73.28 121.85 21.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.416 . . . . 99.989999999999995 110.986 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 529' ' ' GLU . . . . . 0.441 ' CG ' ' HB2' ' W' ' 561' ' ' ARG . 51.4 tp10 -58.48 131.88 85.18 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.087 -0.506 . . . . 99.989999999999995 110.984 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -90.75 138.46 2.51 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.853 2.368 . . . . 99.989999999999995 112.845 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 531' ' ' LEU . . . . . 0.437 ' HA ' ' HD3' ' W' ' 561' ' ' ARG . 0.1 OUTLIER -39.19 139.76 0.77 Allowed Pre-proline 0 N--CA 1.467 0.408 0 CA-C-N 115.85 -0.614 . . . . 99.989999999999995 111.781 179.61 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' W' W ' 532' ' ' PRO . . . . . 0.479 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 74.1 Cg_exo -50.26 -173.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.756 2.304 . . . . 99.989999999999995 113.11 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 533' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 22.4 Cg_exo -68.92 -12.0 33.28 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.394 2.729 . . . . 99.989999999999995 115.12 -178.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 534' ' ' ARG . . . . . 0.434 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 18.6 mmt85 -142.59 44.17 1.62 Allowed 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.412 -0.515 . . . . 99.989999999999995 111.892 -178.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 535' ' ' TRP . . . . . 0.511 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 33.9 m95 -140.61 170.0 16.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.154 0.502 . . . . 99.989999999999995 112.312 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 536' ' ' SER . . . . . 0.405 ' HA ' HD12 ' W' ' 531' ' ' LEU . 0.1 OUTLIER -138.44 -159.96 1.01 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.494 -0.775 . . . . 99.989999999999995 110.54 179.849 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' W' W ' 537' ' ' MET . . . . . . . . . . . . . 64.2 mtp -149.77 120.31 7.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 99.989999999999995 110.555 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 538' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -148.89 138.47 21.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.958 0.409 . . . . 99.989999999999995 111.282 -179.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 26.0 t -82.71 130.56 35.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.057 -0.52 . . . . 99.989999999999995 110.66 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 540' ' ' ALA . . . . . 0.474 ' HB3' ' CE1' ' W' ' 546' ' ' PHE . . . -95.43 155.16 39.03 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.406 . . . . 99.989999999999995 111.35 -179.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.55 -21.01 70.54 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.577 2.185 . . . . 99.989999999999995 112.039 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 542' ' ' ASN . . . . . 0.449 ' ND2' ' NE ' ' W' ' 544' ' ' ARG . 40.2 t30 -54.24 -43.09 70.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.105 -0.498 . . . . 99.989999999999995 110.686 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 137.18 -11.51 3.85 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.637 -0.792 . . . . 99.989999999999995 113.052 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 544' ' ' ARG . . . . . 0.491 ' HG2' ' CE3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -128.26 144.77 51.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.911 0.386 . . . . 99.989999999999995 111.324 -179.845 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' W' W ' 545' ' ' THR . . . . . 0.409 ' CB ' ' OG ' ' W' ' 566' ' ' SER . 0.2 OUTLIER -69.92 146.28 51.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.047 -0.524 . . . . 99.989999999999995 110.294 179.329 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' W' W ' 546' ' ' PHE . . . . . 0.482 ' HB3' ' CE3' ' W' ' 557' ' ' TRP . 25.2 p90 -124.14 173.48 8.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.16 -0.473 . . . . 99.989999999999995 111.135 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 547' ' ' PHE . . . . . 0.502 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.5 OUTLIER -117.35 122.58 44.26 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.952 -0.567 . . . . 99.989999999999995 111.008 179.815 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' W' W ' 548' ' ' ILE . . . . . 0.418 ' O ' ' HA ' ' W' ' 535' ' ' TRP . 2.8 mp -83.09 142.39 13.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.451 -0.795 . . . . 99.989999999999995 110.873 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 549' ' ' ASP . . . . . 0.481 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 23.1 t70 -116.6 117.94 31.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.957 -0.565 . . . . 99.989999999999995 110.726 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 550' ' ' HIS . . . . . 0.424 ' CD2' ' N ' ' W' ' 550' ' ' HIS . 6.3 m170 -81.56 -30.47 33.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 99.989999999999995 111.062 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -49.02 -40.03 29.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 99.989999999999995 111.25 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.22 2.08 4.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 99.989999999999995 111.84 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 553' ' ' ARG . . . . . 0.407 ' HD2' ' CE2' ' P' ' 232' ' ' TYR . 11.3 mmt180 64.37 56.3 1.31 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.816 0.341 . . . . 99.989999999999995 111.07 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 62.1 mtm180 -134.43 -163.43 1.37 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 99.989999999999995 110.664 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 555' ' ' THR . . . . . 0.422 HG22 ' N ' ' P' ' 232' ' ' TYR . 19.3 p -156.03 177.48 11.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.064 0.459 . . . . 99.989999999999995 111.479 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 556' ' ' THR . . . . . 0.41 ' N ' HD22 ' P' ' 229' ' ' LEU . 0.8 OUTLIER -167.46 160.17 12.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.729 -0.669 . . . . 99.989999999999995 110.998 179.731 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' W' W ' 557' ' ' TRP . . . . . 0.491 ' CE3' ' HG2' ' W' ' 544' ' ' ARG . 20.7 m95 -83.45 9.87 10.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.078 -0.51 . . . . 99.989999999999995 111.849 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 558' ' ' ILE . . . . . 0.421 HD13 ' N ' ' W' ' 565' ' ' ALA . 5.3 mm -132.14 148.11 32.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.885 0.374 . . . . 99.989999999999995 111.27 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 559' ' ' ASP . . . . . 0.426 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 0.8 OUTLIER -89.67 112.32 51.17 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.041 -0.527 . . . . 99.989999999999995 111.433 -179.42 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' W' W ' 560' ' ' PRO . . . . . 0.511 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 9.7 Cg_endo -54.16 -31.01 63.6 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.268 1.979 . . . . 99.989999999999995 111.651 179.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 561' ' ' ARG . . . . . 0.441 ' HB2' ' CG ' ' W' ' 529' ' ' GLU . 0.5 OUTLIER -64.91 -19.59 66.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.7 -0.682 . . . . 99.989999999999995 111.092 179.835 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -134.41 -69.16 0.53 Allowed 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.738 0.304 . . . . 99.989999999999995 110.977 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 563' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' W' ' 559' ' ' ASP . . . 117.47 42.89 0.61 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.8 -0.714 . . . . 99.989999999999995 112.588 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 564' ' ' ARG . . . . . 0.419 ' N ' HG21 ' W' ' 558' ' ' ILE . 0.5 OUTLIER -133.65 141.68 47.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.813 0.339 . . . . 99.989999999999995 110.937 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' W' W ' 565' ' ' ALA . . . . . 0.421 ' N ' HD13 ' W' ' 558' ' ' ILE . . . -52.22 99.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 99.989999999999995 110.98 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 566' ' ' SER . . . . . 0.409 ' OG ' ' CB ' ' W' ' 545' ' ' THR . 1.2 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 99.989999999999995 110.919 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 37.3 p . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.756 0.312 . . . . 99.989999999999995 111.056 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . -156.82 77.57 0.2 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.586 -0.816 . . . . 99.989999999999995 112.584 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 229' ' ' LEU . . . . . 0.487 ' HB2' ' CZ2' ' W' ' 557' ' ' TRP . 31.5 tp -90.65 110.44 41.37 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.48 0.181 . . . . 99.989999999999995 110.9 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -39.94 -34.34 0.89 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.679 2.253 . . . . 99.989999999999995 112.489 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 4.2 t 68.28 43.1 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.068 -0.514 . . . . 99.989999999999995 111.217 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 232' ' ' TYR . . . . . 0.422 ' N ' HG22 ' W' ' 555' ' ' THR . 1.1 t80 51.59 69.03 0.71 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 99.989999999999995 110.791 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -177.08 -38.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.031 -0.531 . . . . 99.989999999999995 110.803 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -97.42 -22.91 16.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 99.989999999999995 110.937 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -114.48 78.36 1.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.858 0.361 . . . . 99.989999999999995 110.989 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -176.07 76.5 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.176 -0.465 . . . . 99.989999999999995 110.885 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 99.989999999999995 110.858 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' W' W ' 521' ' ' GLY . . . . . 0.78 ' H2 ' ' CA ' ' W' ' 521' ' ' GLY . . . . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 110.121 -1.192 . . . . 99.989999999999995 110.121 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 522' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' W' ' 521' ' ' GLY . 50.4 Cg_exo -52.64 -177.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.531 2.154 . . . . 99.989999999999995 112.161 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 4.3 tp -94.78 94.62 8.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.296 -0.411 . . . . 99.989999999999995 110.912 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -134.06 -131.22 3.09 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.802 -0.713 . . . . 99.989999999999995 112.594 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 7.4 t 56.22 46.87 20.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.81 0.338 . . . . 99.989999999999995 110.762 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -107.41 -149.24 15.22 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.777 -0.725 . . . . 99.989999999999995 112.359 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.82 88.72 2.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.791 0.329 . . . . 99.989999999999995 110.922 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -122.99 129.32 51.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.346 -0.388 . . . . 99.989999999999995 110.891 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 529' ' ' GLU . . . . . 0.484 ' CB ' ' CD ' ' W' ' 530' ' ' PRO . 0.9 OUTLIER -109.18 -179.38 0.67 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 99.989999999999995 110.509 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' W' W ' 530' ' ' PRO . . . . . 0.484 ' CD ' ' CB ' ' W' ' 529' ' ' GLU . 88.6 Cg_endo -83.76 175.89 7.44 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.594 2.196 . . . . 99.989999999999995 112.54 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 531' ' ' LEU . . . . . 0.437 ' CD1' ' HA ' ' W' ' 536' ' ' SER . 0.9 OUTLIER -94.18 119.46 66.61 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.014 -0.539 . . . . 99.989999999999995 110.508 179.857 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' W' W ' 532' ' ' PRO . . . . . 0.483 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 53.3 Cg_exo -44.71 174.63 0.01 OUTLIER 'Trans proline' 0 CA--C 1.533 0.469 0 C-N-CA 122.854 2.369 . . . . 99.989999999999995 113.094 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 533' ' ' PRO . . . . . 0.483 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 59.3 Cg_exo -36.2 -59.34 0.42 Allowed 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.534 2.822 . . . . 99.989999999999995 115.068 -178.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 534' ' ' ARG . . . . . 0.475 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 7.5 mmm180 -116.67 69.87 0.76 Allowed 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.888 -0.596 . . . . 99.989999999999995 111.31 -178.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 535' ' ' TRP . . . . . 0.5 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 93.6 m95 -157.78 128.26 6.34 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.057 -0.52 . . . . 99.989999999999995 111.531 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 536' ' ' SER . . . . . 0.437 ' HA ' ' CD1' ' W' ' 531' ' ' LEU . 2.6 m -119.3 -173.54 2.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.685 -0.688 . . . . 99.989999999999995 110.81 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 537' ' ' MET . . . . . 0.448 ' HG2' ' CE1' ' W' ' 547' ' ' PHE . 45.9 mtm -133.65 144.54 49.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.058 -0.519 . . . . 99.989999999999995 110.689 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 538' ' ' GLN . . . . . 0.473 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 2.0 tp-100 -163.26 129.09 3.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.346 -0.388 . . . . 99.989999999999995 111.054 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 8.1 p -79.89 130.13 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 99.989999999999995 111.016 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 540' ' ' ALA . . . . . 0.432 ' HB2' ' CD ' ' P' ' 230' ' ' PRO . . . -102.22 160.91 24.96 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.071 -0.513 . . . . 99.989999999999995 111.355 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -64.55 -25.57 62.44 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.668 2.245 . . . . 99.989999999999995 111.24 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 542' ' ' ASN . . . . . 0.401 ' ND2' ' HD3' ' W' ' 544' ' ' ARG . 52.2 t30 -49.41 -26.25 3.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.61 -0.723 . . . . 99.989999999999995 110.678 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 115.99 -8.85 18.65 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.693 -0.765 . . . . 99.989999999999995 112.882 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 544' ' ' ARG . . . . . 0.488 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.43 156.31 45.82 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.996 0.427 . . . . 99.989999999999995 111.192 -179.875 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.34 146.65 26.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.981 -0.554 . . . . 99.989999999999995 110.785 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 546' ' ' PHE . . . . . 0.484 ' HB3' ' CZ3' ' W' ' 557' ' ' TRP . 4.0 p90 -119.44 -175.96 3.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.077 -0.511 . . . . 99.989999999999995 111.04 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 547' ' ' PHE . . . . . 0.493 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.6 OUTLIER -125.63 129.32 49.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.079 -0.51 . . . . 99.989999999999995 110.428 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' W' W ' 548' ' ' ILE . . . . . 0.482 ' CG2' ' CE2' ' P' ' 232' ' ' TYR . 3.0 mp -91.33 117.19 34.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.941 -0.572 . . . . 99.989999999999995 111.465 -179.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 549' ' ' ASP . . . . . 0.423 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 36.6 t0 -89.73 95.92 10.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 99.989999999999995 110.736 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -62.02 -32.68 73.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 99.989999999999995 111.146 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -57.48 -49.47 76.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.24 -0.436 . . . . 99.989999999999995 111.414 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.23 -6.19 28.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.416 . . . . 99.989999999999995 111.772 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 64.91 48.87 2.25 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.867 0.365 . . . . 99.989999999999995 110.817 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -143.05 -162.5 1.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 99.989999999999995 110.869 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 45.1 p -145.72 157.12 43.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 99.989999999999995 111.085 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 15.1 t -146.87 164.07 34.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 99.989999999999995 111.101 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 557' ' ' TRP . . . . . 0.488 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 36.5 m95 -92.78 17.69 10.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.114 -0.494 . . . . 99.989999999999995 111.288 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.2 mm -133.43 147.42 31.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.849 0.357 . . . . 99.989999999999995 111.369 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 559' ' ' ASP . . . . . 0.479 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 9.2 p30 -104.33 118.06 57.71 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.064 -0.516 . . . . 99.989999999999995 110.915 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 560' ' ' PRO . . . . . 0.5 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 10.6 Cg_endo -56.98 -25.53 63.3 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.5 2.133 . . . . 99.989999999999995 112.812 -179.613 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 561' ' ' ARG . . . . . 0.442 ' CG ' ' HB2' ' W' ' 559' ' ' ASP . 0.1 OUTLIER -50.31 -37.72 37.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.552 -0.295 . . . . 99.989999999999995 111.153 -179.657 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -149.57 20.85 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.455 -0.339 . . . . 99.989999999999995 111.368 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 44.44 58.92 4.38 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.883 -0.675 . . . . 99.989999999999995 113.006 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -143.44 170.54 15.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.812 0.339 . . . . 99.989999999999995 110.813 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -72.05 117.58 13.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 99.989999999999995 111.129 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 99.989999999999995 110.897 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 5.7 p . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 120.806 0.336 . . . . 99.989999999999995 111.121 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . -103.72 4.43 46.47 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 120.666 -0.778 . . . . 99.989999999999995 113.133 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 229' ' ' LEU . . . . . 0.453 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 4.2 tp -48.9 102.9 0.33 Allowed Pre-proline 0 CA--C 1.529 0.14 0 CA-C-N 116.855 0.328 . . . . 99.989999999999995 111.217 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 230' ' ' PRO . . . . . 0.432 ' CD ' ' HB2' ' W' ' 540' ' ' ALA . 18.7 Cg_exo -66.36 101.9 0.55 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.59 2.193 . . . . 99.989999999999995 111.898 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 231' ' ' SER . . . . . 0.414 ' O ' ' N ' ' P' ' 233' ' ' ASP . 68.8 p -48.78 163.03 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 99.989999999999995 111.178 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 232' ' ' TYR . . . . . 0.482 ' CE2' ' CG2' ' W' ' 548' ' ' ILE . 1.3 t80 -58.25 84.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.002 -0.544 . . . . 99.989999999999995 110.976 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 233' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' P' ' 231' ' ' SER . 0.3 OUTLIER 172.35 -39.53 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 99.989999999999995 110.873 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -96.77 -25.65 15.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 99.989999999999995 110.817 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -61.3 -31.24 71.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 99.989999999999995 110.996 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 5.1 mp -55.74 131.73 47.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 99.989999999999995 110.833 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 99.989999999999995 110.994 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 521' ' ' GLY . . . . . 0.779 ' CA ' ' H3 ' ' W' ' 521' ' ' GLY . . . . . . . . 0 N--CA 1.449 -0.467 0 N-CA-C 110.102 -1.199 . . . . 99.989999999999995 110.102 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 522' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 41.8 Cg_endo -67.78 -50.2 0.92 Allowed 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.645 2.23 . . . . 99.989999999999995 112.344 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.73 -28.55 9.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 99.989999999999995 110.884 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . 79.79 -101.4 1.92 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.721 -0.752 . . . . 99.989999999999995 112.408 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 4.1 p -172.9 62.39 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.846 0.355 . . . . 99.989999999999995 110.9 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -135.6 171.43 22.64 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.764 -0.732 . . . . 99.989999999999995 112.531 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -145.87 77.9 1.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.809 0.338 . . . . 99.989999999999995 110.973 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -114.93 61.25 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 99.989999999999995 110.828 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 529' ' ' GLU . . . . . 0.415 ' O ' ' CZ ' ' W' ' 561' ' ' ARG . 0.4 OUTLIER 61.8 126.68 0.02 OUTLIER Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.415 . . . . 99.989999999999995 110.749 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -89.95 149.35 4.82 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.673 2.249 . . . . 99.989999999999995 112.8 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 531' ' ' LEU . . . . . 0.436 ' CD2' ' HG2' ' W' ' 537' ' ' MET . 1.5 mt -64.36 125.82 89.19 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 99.989999999999995 110.16 179.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 532' ' ' PRO . . . . . 0.499 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 80.3 Cg_exo -47.49 -179.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.799 2.333 . . . . 99.989999999999995 112.907 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 533' ' ' PRO . . . . . 0.499 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 20.5 Cg_exo -36.93 -57.52 0.64 Allowed 'Trans proline' 0 CA--C 1.515 -0.473 0 C-N-CA 123.518 2.812 . . . . 99.989999999999995 114.991 -178.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 534' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -123.26 71.07 1.05 Allowed 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.63 -0.714 . . . . 99.989999999999995 110.966 -178.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 535' ' ' TRP . . . . . 0.536 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 71.0 m95 -150.9 162.44 40.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.368 0.604 . . . . 99.989999999999995 112.513 -179.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 536' ' ' SER . . . . . 0.427 ' HA ' ' CD2' ' W' ' 531' ' ' LEU . 16.6 m -162.61 -171.69 2.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.005 -0.998 . . . . 99.989999999999995 109.696 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 537' ' ' MET . . . . . 0.489 ' HB3' ' CD1' ' W' ' 547' ' ' PHE . 0.0 OUTLIER -155.05 138.72 16.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.094 0.473 . . . . 99.989999999999995 111.559 179.66 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' W' W ' 538' ' ' GLN . . . . . 0.425 ' O ' ' CD1' ' W' ' 546' ' ' PHE . 0.9 OUTLIER -146.37 149.6 34.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.603 -0.726 . . . . 99.989999999999995 110.537 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' W' W ' 539' ' ' VAL . . . . . 0.426 ' CG2' HG23 ' W' ' 545' ' ' THR . 19.7 t -79.41 137.56 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.339 -0.391 . . . . 99.989999999999995 111.098 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 540' ' ' ALA . . . . . 0.476 ' CB ' ' CE1' ' W' ' 546' ' ' PHE . . . -110.03 170.93 4.82 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 99.989999999999995 111.311 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 541' ' ' PRO . . . . . 0.434 ' HD2' ' CB ' ' W' ' 540' ' ' ALA . 60.8 Cg_endo -73.3 -23.23 17.95 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.651 2.234 . . . . 99.989999999999995 112.06 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -51.82 -41.26 61.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.987 -0.551 . . . . 99.989999999999995 110.775 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 134.44 -11.24 4.66 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.599 -0.81 . . . . 99.989999999999995 112.964 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 544' ' ' ARG . . . . . 0.5 ' HG3' ' CE3' ' W' ' 557' ' ' TRP . 0.3 OUTLIER -130.75 156.65 44.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.879 0.371 . . . . 99.989999999999995 111.14 -179.848 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' W' W ' 545' ' ' THR . . . . . 0.426 HG23 ' CG2' ' W' ' 539' ' ' VAL . 2.0 p -79.59 146.83 32.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 99.989999999999995 111.117 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 546' ' ' PHE . . . . . 0.489 ' HB3' ' CZ3' ' W' ' 557' ' ' TRP . 9.1 p90 -126.29 153.54 44.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.111 -0.495 . . . . 99.989999999999995 110.918 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 547' ' ' PHE . . . . . 0.489 ' CD1' ' HB3' ' W' ' 537' ' ' MET . 1.9 m-85 -94.01 132.29 38.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.962 0.41 . . . . 99.989999999999995 110.952 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 548' ' ' ILE . . . . . 0.402 ' HB ' ' HB2' ' W' ' 536' ' ' SER . 3.4 mp -89.45 130.09 39.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.964 -0.562 . . . . 99.989999999999995 110.905 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 549' ' ' ASP . . . . . 0.488 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 38.1 t0 -107.47 109.7 21.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 99.989999999999995 110.777 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -84.94 -25.18 28.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 99.989999999999995 110.988 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -56.4 -42.07 77.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 99.989999999999995 111.009 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.46 -5.51 10.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 99.989999999999995 111.63 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 70.89 58.07 0.21 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.797 0.332 . . . . 99.989999999999995 110.892 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -144.26 -163.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 99.989999999999995 110.769 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 68.8 p -152.53 169.2 23.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 99.989999999999995 111.159 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 2.6 t -160.66 162.24 32.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.049 -0.523 . . . . 99.989999999999995 111.107 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 557' ' ' TRP . . . . . 0.5 ' CE3' ' HG3' ' W' ' 544' ' ' ARG . 14.7 m95 -83.59 -19.66 35.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.967 -0.561 . . . . 99.989999999999995 111.578 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 558' ' ' ILE . . . . . 0.422 HD12 HG23 ' W' ' 558' ' ' ILE . 4.9 mm -110.74 145.83 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.93 0.395 . . . . 99.989999999999995 111.434 -179.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 559' ' ' ASP . . . . . 0.488 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 9.7 p30 -82.81 145.51 50.4 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.044 -0.526 . . . . 99.989999999999995 111.298 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 560' ' ' PRO . . . . . 0.536 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 59.0 Cg_endo -91.55 10.94 2.55 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 122.991 2.461 . . . . 99.989999999999995 112.532 179.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 561' ' ' ARG . . . . . 0.415 ' CZ ' ' O ' ' W' ' 529' ' ' GLU . 0.0 OUTLIER -107.01 18.37 21.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.354 -0.384 . . . . 99.989999999999995 111.114 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 7.5 p30 177.61 -46.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.478 -0.328 . . . . 99.989999999999995 111.065 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 105.91 41.42 1.83 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 99.989999999999995 112.682 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.61 143.7 50.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.866 0.365 . . . . 99.989999999999995 110.795 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -51.46 118.11 3.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 99.989999999999995 111.277 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 99.989999999999995 110.976 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.889 0.376 . . . . 99.989999999999995 111.137 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . -157.82 36.8 0.54 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 99.989999999999995 112.502 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 229' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.27 93.88 24.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.706 0.289 . . . . 99.989999999999995 110.884 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -58.95 102.66 0.15 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.564 2.176 . . . . 99.989999999999995 112.047 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 10.1 p -55.82 174.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 99.989999999999995 111.128 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 232' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -60.72 81.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.968 -0.56 . . . . 99.989999999999995 111.053 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 5.2 t70 177.35 -59.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.408 . . . . 99.989999999999995 110.82 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -81.67 -22.03 37.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 99.989999999999995 111.092 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -69.54 -47.07 64.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.383 -0.371 . . . . 99.989999999999995 111.159 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 45.4 mt -75.78 98.52 4.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 99.989999999999995 110.997 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 99.989999999999995 110.823 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 521' ' ' GLY . . . . . 1.06 ' N ' ' H3 ' ' W' ' 521' ' ' GLY . . . . . . . . 0 N--CA 1.449 -0.444 0 N-CA-C 110.096 -1.202 . . . . 99.989999999999995 110.096 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 522' ' ' PRO . . . . . 0.646 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 26.3 Cg_endo -63.71 -59.35 0.21 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.583 2.189 . . . . 99.989999999999995 112.306 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -69.97 0.33 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 99.989999999999995 110.973 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . 90.04 -107.19 3.41 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.754 -0.736 . . . . 99.989999999999995 112.515 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 49.89 34.14 7.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 99.989999999999995 110.995 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -61.12 174.31 5.91 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.674 -0.774 . . . . 99.989999999999995 112.539 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -168.67 -55.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.858 0.361 . . . . 99.989999999999995 110.891 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -81.9 152.75 26.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 99.989999999999995 110.999 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 529' ' ' GLU . . . . . 0.427 ' HB3' ' CZ ' ' W' ' 561' ' ' ARG . 27.0 tp10 -141.43 138.19 17.28 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 99.989999999999995 110.792 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.49 146.83 61.25 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.599 2.199 . . . . 99.989999999999995 112.728 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 531' ' ' LEU . . . . . 0.433 ' CD2' ' HG3' ' W' ' 537' ' ' MET . 0.3 OUTLIER -96.86 141.94 23.81 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 115.963 -0.562 . . . . 99.989999999999995 110.27 179.657 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' W' W ' 532' ' ' PRO . . . . . 0.461 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 71.1 Cg_exo -49.71 -174.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.442 2.095 . . . . 99.989999999999995 113.17 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 533' ' ' PRO . . . . . 0.461 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 22.0 Cg_exo -68.1 -4.74 13.16 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 123.254 2.636 . . . . 99.989999999999995 115.232 -177.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 534' ' ' ARG . . . . . 0.427 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 27.2 mmt85 -149.93 42.37 0.86 Allowed 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 120.142 -0.623 . . . . 99.989999999999995 111.713 -179.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 535' ' ' TRP . . . . . 0.498 ' CE2' ' HG3' ' W' ' 560' ' ' PRO . 37.9 m95 -140.36 168.14 20.51 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.422 0.63 . . . . 99.989999999999995 112.549 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 536' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.14 -163.39 1.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.066 -0.97 . . . . 99.989999999999995 110.444 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 537' ' ' MET . . . . . 0.433 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 12.9 mtm -133.32 149.51 51.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.144 -0.48 . . . . 99.989999999999995 110.902 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 538' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -169.06 129.84 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 99.989999999999995 110.799 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 22.3 t -81.14 133.74 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 99.989999999999995 110.984 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 540' ' ' ALA . . . . . 0.49 ' HB1' ' CE1' ' W' ' 546' ' ' PHE . . . -104.07 151.49 38.98 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.025 -0.534 . . . . 99.989999999999995 111.194 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -59.46 -26.03 80.59 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.597 2.198 . . . . 99.989999999999995 111.688 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -49.63 -39.15 34.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.757 -0.656 . . . . 99.989999999999995 110.705 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 129.06 -6.1 6.41 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.919 -0.657 . . . . 99.989999999999995 112.739 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 544' ' ' ARG . . . . . 0.517 ' CD ' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.94 145.43 51.49 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.872 0.367 . . . . 99.989999999999995 111.118 -179.875 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.29 146.16 47.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.123 -0.49 . . . . 99.989999999999995 110.425 179.306 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 546' ' ' PHE . . . . . 0.49 ' CE1' ' HB1' ' W' ' 540' ' ' ALA . 14.0 p90 -122.01 159.21 27.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.329 -0.396 . . . . 99.989999999999995 111.092 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 547' ' ' PHE . . . . . 0.487 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.5 OUTLIER -103.3 125.73 50.09 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.88 -0.6 . . . . 99.989999999999995 111.264 -179.674 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' W' W ' 548' ' ' ILE . . . . . 0.535 ' CG2' ' CD2' ' P' ' 232' ' ' TYR . 3.1 mt -83.74 149.48 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 CA-C-N 115.257 -0.883 . . . . 99.989999999999995 110.753 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -127.31 106.27 9.1 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.255 -0.884 . . . . 99.989999999999995 111.165 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -75.99 -26.1 56.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 99.989999999999995 110.791 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -52.16 -32.65 36.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.201 -0.454 . . . . 99.989999999999995 110.657 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.6 13.36 2.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.806 -0.634 . . . . 99.989999999999995 111.166 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 553' ' ' ARG . . . . . 0.46 ' HA ' ' CD2' ' P' ' 232' ' ' TYR . 9.0 mmt85 52.4 63.32 2.29 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.669 0.271 . . . . 99.989999999999995 111.023 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 29.2 mtp85 -147.15 -167.23 2.72 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.821 0.343 . . . . 99.989999999999995 111.456 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 555' ' ' THR . . . . . 0.419 HG22 ' N ' ' P' ' 232' ' ' TYR . 81.7 p -143.88 -175.8 4.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 99.989999999999995 111.072 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -178.51 161.6 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 99.989999999999995 111.259 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 557' ' ' TRP . . . . . 0.517 ' CZ3' ' CD ' ' W' ' 544' ' ' ARG . 19.1 m95 -85.56 11.47 10.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 99.989999999999995 111.756 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 558' ' ' ILE . . . . . 0.431 HG21 ' N ' ' W' ' 564' ' ' ARG . 5.4 mm -130.19 149.43 33.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.976 0.417 . . . . 99.989999999999995 111.697 -179.179 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 559' ' ' ASP . . . . . 0.467 ' HB3' ' CD1' ' W' ' 547' ' ' PHE . 2.0 p30 -105.56 118.88 54.43 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.836 -0.62 . . . . 99.989999999999995 110.987 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 560' ' ' PRO . . . . . 0.498 ' HG3' ' CE2' ' W' ' 535' ' ' TRP . 9.0 Cg_endo -52.93 -35.25 70.25 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.23 1.953 . . . . 99.989999999999995 112.016 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 561' ' ' ARG . . . . . 0.427 ' CZ ' ' HB3' ' W' ' 529' ' ' GLU . 0.0 OUTLIER -49.78 -31.47 11.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 99.989999999999995 110.975 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' W' W ' 562' ' ' ASN . . . . . 0.42 ' ND2' ' OD1' ' W' ' 559' ' ' ASP . 4.4 m-80 -131.86 -66.03 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 99.989999999999995 110.854 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 122.31 38.53 0.59 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.812 -0.708 . . . . 99.989999999999995 112.363 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 564' ' ' ARG . . . . . 0.431 ' N ' HG21 ' W' ' 558' ' ' ILE . 12.5 mtt180 -140.72 175.04 9.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.816 0.341 . . . . 99.989999999999995 111.153 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -51.88 108.07 0.25 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.076 -0.511 . . . . 99.989999999999995 111.34 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 115.99 -0.55 . . . . 99.989999999999995 110.868 179.84 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.729 0.299 . . . . 99.989999999999995 111.095 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . -138.76 53.96 0.69 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.562 -0.828 . . . . 99.989999999999995 112.729 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 229' ' ' LEU . . . . . 0.474 ' HB2' ' CZ2' ' W' ' 557' ' ' TRP . 13.8 tp -113.02 82.02 5.04 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.69 0.281 . . . . 99.989999999999995 111.003 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 230' ' ' PRO . . . . . 0.421 ' CB ' ' CB ' ' P' ' 235' ' ' ALA . 90.2 Cg_exo -44.34 100.8 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.624 2.216 . . . . 99.989999999999995 112.306 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 2.0 m -51.07 174.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 99.989999999999995 111.265 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 232' ' ' TYR . . . . . 0.535 ' CD2' ' CG2' ' W' ' 548' ' ' ILE . 1.1 t80 -86.77 77.63 9.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.719 -0.673 . . . . 99.989999999999995 110.899 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -179.59 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.837 -0.619 . . . . 99.989999999999995 110.391 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -98.48 -27.88 13.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.859 -0.61 . . . . 99.989999999999995 110.561 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 235' ' ' ALA . . . . . 0.421 ' CB ' ' CB ' ' P' ' 230' ' ' PRO . . . -106.25 67.74 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 99.989999999999995 110.962 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 236' ' ' LEU . . . . . 0.436 HD13 ' CD1' ' P' ' 232' ' ' TYR . 0.3 OUTLIER -157.07 56.71 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 99.989999999999995 110.885 -179.718 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 5.7 p80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 99.989999999999995 110.894 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' W' W ' 521' ' ' GLY . . . . . 0.779 ' H1 ' ' CA ' ' W' ' 521' ' ' GLY . . . . . . . . 0 N--CA 1.449 -0.47 0 N-CA-C 110.094 -1.202 . . . . 99.989999999999995 110.094 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 522' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 53.9 Cg_endo -69.95 -31.35 19.85 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.592 2.195 . . . . 99.989999999999995 112.343 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 34.8 tp -148.94 117.99 6.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 99.989999999999995 110.872 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -179.94 61.74 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.727 -0.749 . . . . 99.989999999999995 112.501 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 16.5 t -78.68 -25.12 44.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.729 0.299 . . . . 99.989999999999995 110.852 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . 138.86 150.06 5.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 99.989999999999995 112.49 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 67.52 41.83 2.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 99.989999999999995 110.828 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -155.33 104.97 2.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 99.989999999999995 110.735 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 529' ' ' GLU . . . . . 0.435 ' HG2' ' CB ' ' W' ' 561' ' ' ARG . 4.5 tp10 -49.51 139.99 14.38 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.333 -0.394 . . . . 99.989999999999995 110.763 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -86.48 33.47 0.45 Allowed 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.867 2.378 . . . . 99.989999999999995 113.232 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 531' ' ' LEU . . . . . 0.439 ' CD1' ' HA ' ' W' ' 536' ' ' SER . 4.3 mt 62.45 127.95 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.305 0 N-CA-C 110.421 -0.214 . . . . 99.989999999999995 110.421 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 532' ' ' PRO . . . . . 0.466 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 71.1 Cg_exo -49.76 -174.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.525 2.15 . . . . 99.989999999999995 113.348 -179.217 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 533' ' ' PRO . . . . . 0.466 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 24.6 Cg_exo -66.41 -12.84 37.38 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.323 2.682 . . . . 99.989999999999995 115.208 -178.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 534' ' ' ARG . . . . . 0.436 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 19.7 mmt85 -142.84 44.13 1.59 Allowed 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 120.261 -0.576 . . . . 99.989999999999995 111.825 -178.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 535' ' ' TRP . . . . . 0.503 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 43.0 m95 -140.94 167.89 21.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.337 0.589 . . . . 99.989999999999995 112.531 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 536' ' ' SER . . . . . 0.439 ' HA ' ' CD1' ' W' ' 531' ' ' LEU . 0.1 OUTLIER -146.54 -157.31 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.294 -0.867 . . . . 99.989999999999995 110.43 -179.893 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' W' W ' 537' ' ' MET . . . . . 0.43 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 28.2 mtm -147.36 144.38 28.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.842 0.353 . . . . 99.989999999999995 110.918 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 538' ' ' GLN . . . . . 0.404 ' O ' ' CD1' ' W' ' 546' ' ' PHE . 1.9 tp-100 -165.62 133.35 2.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.33 -0.395 . . . . 99.989999999999995 111.136 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 2.8 t -82.08 135.58 24.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 99.989999999999995 110.687 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 540' ' ' ALA . . . . . 0.43 ' CB ' ' CE1' ' W' ' 546' ' ' PHE . . . -108.89 158.59 33.75 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.274 -0.421 . . . . 99.989999999999995 111.286 -179.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.12 -21.76 62.43 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.479 2.12 . . . . 99.989999999999995 111.829 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -49.63 -43.4 46.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.539 . . . . 99.989999999999995 110.833 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 137.91 -14.09 3.59 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.672 -0.775 . . . . 99.989999999999995 112.688 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 544' ' ' ARG . . . . . 0.487 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.58 157.11 44.49 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.993 0.425 . . . . 99.989999999999995 111.272 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.09 146.15 33.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.849 -0.614 . . . . 99.989999999999995 110.224 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 546' ' ' PHE . . . . . 0.484 ' HB3' ' CZ3' ' W' ' 557' ' ' TRP . 9.2 p90 -118.06 173.23 6.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.024 0.44 . . . . 99.989999999999995 111.33 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 547' ' ' PHE . . . . . 0.483 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.6 OUTLIER -116.42 127.49 54.65 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.812 -0.631 . . . . 99.989999999999995 111.196 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' W' W ' 548' ' ' ILE . . . . . 0.528 ' CG2' ' CD2' ' P' ' 232' ' ' TYR . 2.7 mp -87.22 145.74 7.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.277 -0.874 . . . . 99.989999999999995 110.443 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -122.9 109.12 13.75 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.615 -0.72 . . . . 99.989999999999995 110.954 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -73.18 -32.46 64.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 99.989999999999995 110.973 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -49.78 -48.16 50.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 99.989999999999995 111.016 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.5 -1.95 14.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.005 -0.543 . . . . 99.989999999999995 111.606 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 62.89 62.53 1.04 Allowed 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.661 0.267 . . . . 99.989999999999995 110.911 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 554' ' ' ARG . . . . . 0.416 ' CA ' ' HB3' ' P' ' 232' ' ' TYR . 39.3 mtp180 -150.32 -167.52 2.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.017 0.436 . . . . 99.989999999999995 111.275 -179.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 555' ' ' THR . . . . . 0.426 HG22 ' N ' ' P' ' 232' ' ' TYR . 37.5 p -140.77 176.56 8.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.022 -0.536 . . . . 99.989999999999995 111.022 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -170.29 165.87 8.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 99.989999999999995 111.433 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 557' ' ' TRP . . . . . 0.487 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 20.0 m95 -92.09 19.55 6.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.033 -0.53 . . . . 99.989999999999995 111.308 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 558' ' ' ILE . . . . . 0.477 HD11 HG22 ' W' ' 558' ' ' ILE . 5.3 mm -132.55 149.48 32.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.977 0.418 . . . . 99.989999999999995 111.646 -179.1 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 559' ' ' ASP . . . . . 0.458 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 12.3 p30 -104.53 113.4 65.08 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.922 -0.581 . . . . 99.989999999999995 110.811 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 560' ' ' PRO . . . . . 0.503 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 5.3 Cg_endo -50.91 -26.92 19.33 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.286 1.991 . . . . 99.989999999999995 112.278 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 561' ' ' ARG . . . . . 0.435 ' CB ' ' HG2' ' W' ' 529' ' ' GLU . 0.3 OUTLIER -61.97 -23.2 66.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.136 -0.484 . . . . 99.989999999999995 110.995 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' W' W ' 562' ' ' ASN . . . . . 0.413 ' ND2' ' OD2' ' W' ' 559' ' ' ASP . 5.5 m-20 -132.99 -60.14 0.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.369 -0.378 . . . . 99.989999999999995 110.716 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 117.26 24.62 3.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.79 -0.719 . . . . 99.989999999999995 112.597 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 564' ' ' ARG . . . . . 0.405 ' N ' HG22 ' W' ' 558' ' ' ILE . 23.7 mtt-85 -136.29 -175.93 4.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.882 0.372 . . . . 99.989999999999995 110.864 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -48.87 115.58 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 99.989999999999995 111.211 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.113 -0.494 . . . . 99.989999999999995 110.888 179.924 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.773 0.321 . . . . 99.989999999999995 111.158 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . 97.04 28.07 8.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.644 -0.789 . . . . 99.989999999999995 112.522 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 229' ' ' LEU . . . . . 0.486 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 1.7 tm? -99.0 106.55 38.74 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.541 0.21 . . . . 99.989999999999995 110.874 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 230' ' ' PRO . . . . . 0.427 ' HB2' ' CB ' ' P' ' 235' ' ' ALA . 11.7 Cg_exo -70.16 109.3 2.35 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.638 2.225 . . . . 99.989999999999995 111.912 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 88.1 p -52.96 163.38 0.5 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.245 -0.434 . . . . 99.989999999999995 110.966 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 232' ' ' TYR . . . . . 0.528 ' CD2' ' CG2' ' W' ' 548' ' ' ILE . 1.1 t80 -78.76 67.23 4.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.809 -0.632 . . . . 99.989999999999995 110.784 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -163.0 -43.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.683 -0.69 . . . . 99.989999999999995 110.319 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -99.3 -22.6 15.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.599 . . . . 99.989999999999995 110.821 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 235' ' ' ALA . . . . . 0.427 ' CB ' ' HB2' ' P' ' 230' ' ' PRO . . . -76.84 -57.13 4.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.35 -0.386 . . . . 99.989999999999995 111.042 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.21 109.65 0.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 99.989999999999995 110.8 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 99.989999999999995 110.893 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' W' W ' 521' ' ' GLY . . . . . 1.361 ' N ' ' H3 ' ' W' ' 521' ' ' GLY . . . . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 110.098 -1.201 . . . . 99.989999999999995 110.098 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' W' W ' 522' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' W' ' 521' ' ' GLY . 39.3 Cg_exo -57.23 -32.54 93.87 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.687 2.258 . . . . 99.989999999999995 112.393 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.99 73.55 0.47 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 99.989999999999995 110.926 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -112.67 133.12 11.15 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.769 -0.729 . . . . 99.989999999999995 112.435 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.44 94.46 9.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 99.989999999999995 110.87 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -145.21 96.1 0.18 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.736 -0.745 . . . . 99.989999999999995 112.436 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -156.13 74.99 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 99.989999999999995 110.826 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.88 124.95 25.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 99.989999999999995 111.032 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' W' W ' 529' ' ' GLU . . . . . 0.4 ' HB3' ' CD ' ' W' ' 561' ' ' ARG . 18.4 tp10 -86.78 140.31 33.26 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.289 -0.414 . . . . 99.989999999999995 110.711 179.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -86.24 38.3 0.58 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.845 2.364 . . . . 99.989999999999995 113.139 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' W' W ' 531' ' ' LEU . . . . . . . . . . . . . 1.4 mt 61.99 125.67 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 110.329 -0.249 . . . . 99.989999999999995 110.329 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' W' W ' 532' ' ' PRO . . . . . 0.467 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 75.7 Cg_exo -49.64 -174.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.483 2.122 . . . . 99.989999999999995 113.397 -179.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' W' W ' 533' ' ' PRO . . . . . 0.467 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 23.8 Cg_exo -67.36 -12.66 36.62 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.45 2.767 . . . . 99.989999999999995 115.122 -178.082 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' W' W ' 534' ' ' ARG . . . . . 0.438 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 24.3 mmt180 -141.89 42.05 1.69 Allowed 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 120.341 -0.544 . . . . 99.989999999999995 111.754 -178.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' W' W ' 535' ' ' TRP . . . . . 0.511 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 39.6 m95 -140.59 169.1 18.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.272 0.558 . . . . 99.989999999999995 112.337 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' W' W ' 536' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.12 -159.37 1.02 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.283 -0.871 . . . . 99.989999999999995 110.65 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' W' W ' 537' ' ' MET . . . . . . . . . . . . . 15.8 mtp -144.32 140.8 29.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 99.989999999999995 110.634 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' W' W ' 538' ' ' GLN . . . . . 0.465 ' O ' ' CD1' ' W' ' 546' ' ' PHE . 46.0 tt0 -165.71 136.27 3.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.447 -0.342 . . . . 99.989999999999995 111.237 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 4.8 t -84.39 127.32 39.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 99.989999999999995 110.745 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' W' W ' 540' ' ' ALA . . . . . 0.486 ' HB1' ' CE1' ' W' ' 546' ' ' PHE . . . -92.81 151.44 40.84 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 99.989999999999995 111.428 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' W' W ' 541' ' ' PRO . . . . . 0.409 ' HD2' ' CG ' ' P' ' 230' ' ' PRO . 19.7 Cg_endo -58.3 -22.64 58.7 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.547 2.165 . . . . 99.989999999999995 111.78 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -54.56 -29.95 52.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.946 -0.57 . . . . 99.989999999999995 110.685 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 120.55 -4.36 12.03 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.765 -0.731 . . . . 99.989999999999995 113.005 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' W' W ' 544' ' ' ARG . . . . . 0.491 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.7 OUTLIER -131.18 157.01 44.34 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.012 0.434 . . . . 99.989999999999995 111.18 -179.862 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.38 146.5 27.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.896 -0.593 . . . . 99.989999999999995 110.661 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' W' W ' 546' ' ' PHE . . . . . 0.486 ' CE1' ' HB1' ' W' ' 540' ' ' ALA . 5.3 p90 -121.6 -179.36 4.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.012 0.434 . . . . 99.989999999999995 111.233 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' W' W ' 547' ' ' PHE . . . . . 0.48 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.5 OUTLIER -124.17 118.84 27.78 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 115.833 -0.622 . . . . 99.989999999999995 110.677 179.762 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' W' W ' 548' ' ' ILE . . . . . 0.473 HG23 ' CG ' ' P' ' 232' ' ' TYR . 3.2 mt -79.93 147.06 6.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.423 -0.808 . . . . 99.989999999999995 110.395 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -126.87 115.76 19.8 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.612 -0.722 . . . . 99.989999999999995 110.877 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -81.39 -30.48 33.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 99.989999999999995 111.057 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -50.6 -37.57 40.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.374 -0.376 . . . . 99.989999999999995 110.877 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.11 -4.21 7.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 99.989999999999995 111.529 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' W' W ' 553' ' ' ARG . . . . . 0.463 ' HA ' ' CD2' ' P' ' 232' ' ' TYR . 17.9 mmt180 65.81 59.83 0.72 Allowed 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.637 0.256 . . . . 99.989999999999995 110.811 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' W' W ' 554' ' ' ARG . . . . . 0.425 ' CA ' ' HB3' ' P' ' 232' ' ' TYR . 53.5 mtm180 -149.76 -166.8 2.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.406 -0.361 . . . . 99.989999999999995 111.257 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' W' W ' 555' ' ' THR . . . . . 0.432 HG23 ' N ' ' P' ' 232' ' ' TYR . 53.2 p -143.76 178.72 7.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 99.989999999999995 111.142 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -171.89 166.12 6.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 99.989999999999995 111.342 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' W' W ' 557' ' ' TRP . . . . . 0.492 ' CE2' ' HB2' ' P' ' 229' ' ' LEU . 24.0 m95 -92.0 19.78 6.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.842 -0.617 . . . . 99.989999999999995 111.508 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' W' W ' 558' ' ' ILE . . . . . 0.448 HD12 HG21 ' W' ' 558' ' ' ILE . 5.7 mm -133.26 141.8 43.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.048 0.451 . . . . 99.989999999999995 112.048 -178.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' W' W ' 559' ' ' ASP . . . . . 0.421 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 3.4 m-20 -91.82 110.1 41.42 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.65 -0.704 . . . . 99.989999999999995 110.79 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' W' W ' 560' ' ' PRO . . . . . 0.511 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 5.2 Cg_endo -51.5 -25.76 20.1 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.073 1.849 . . . . 99.989999999999995 111.832 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' W' W ' 561' ' ' ARG . . . . . 0.4 ' CD ' ' HB3' ' W' ' 529' ' ' GLU . 0.2 OUTLIER -63.14 -22.25 66.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.715 -0.675 . . . . 99.989999999999995 110.918 179.633 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -138.51 -69.21 0.44 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.35 -0.386 . . . . 99.989999999999995 110.665 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' W' W ' 563' ' ' GLY . . . . . 0.427 ' HA2' ' CG2' ' W' ' 558' ' ' ILE . . . 124.05 44.48 0.3 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.798 -0.715 . . . . 99.989999999999995 112.51 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 -141.17 169.38 17.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.945 0.402 . . . . 99.989999999999995 111.046 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.53 117.69 7.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.005 -0.543 . . . . 99.989999999999995 111.225 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.045 -0.525 . . . . 99.989999999999995 110.717 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 3.9 t . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.807 0.337 . . . . 99.989999999999995 111.088 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . 113.48 40.5 1.02 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.691 -0.766 . . . . 99.989999999999995 112.577 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 229' ' ' LEU . . . . . 0.492 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 0.9 OUTLIER -101.75 104.37 34.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.501 0.191 . . . . 99.989999999999995 111.03 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' P' P ' 230' ' ' PRO . . . . . 0.409 ' HB2' ' CB ' ' P' ' 235' ' ' ALA . 22.7 Cg_exo -64.08 96.05 0.21 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.43 2.087 . . . . 99.989999999999995 111.698 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 16.5 p -46.54 154.25 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 99.989999999999995 111.478 -179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 232' ' ' TYR . . . . . 0.473 ' CG ' HG23 ' W' ' 548' ' ' ILE . 1.1 t80 -66.89 73.85 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.773 -0.649 . . . . 99.989999999999995 110.92 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -176.34 -39.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.803 -0.635 . . . . 99.989999999999995 110.381 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -113.46 22.89 13.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.997 -0.547 . . . . 99.989999999999995 110.873 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 235' ' ' ALA . . . . . 0.409 ' CB ' ' HB2' ' P' ' 230' ' ' PRO . . . -119.75 -37.26 3.15 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.323 -0.399 . . . . 99.989999999999995 111.099 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 3.8 tt -59.28 117.6 4.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.204 -0.453 . . . . 99.989999999999995 110.947 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 41.3 m170 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 99.989999999999995 110.927 179.908 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' W' W ' 521' ' ' GLY . . . . . 0.781 ' H1 ' ' CA ' ' W' ' 521' ' ' GLY . . . . . . . . 0 N--CA 1.449 -0.466 0 N-CA-C 110.11 -1.196 . . . . 99.989999999999995 110.11 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' W' W ' 522' ' ' PRO . . . . . 0.58 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 59.6 Cg_endo -71.92 80.84 1.45 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.666 2.244 . . . . 99.989999999999995 112.438 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 49.5 76.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 99.989999999999995 111.039 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -166.01 129.13 1.88 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.728 -0.749 . . . . 99.989999999999995 112.469 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 23.5 p -111.16 76.81 1.0 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.832 0.349 . . . . 99.989999999999995 110.769 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . 153.16 161.83 10.59 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.749 . . . . 99.989999999999995 112.477 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 51.45 89.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 99.989999999999995 110.895 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 178.93 102.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 99.989999999999995 110.864 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' W' W ' 529' ' ' GLU . . . . . 0.427 ' O ' ' NE ' ' W' ' 561' ' ' ARG . 2.5 tp10 -72.77 140.26 81.06 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 99.989999999999995 110.713 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.81 168.63 1.64 Allowed 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.374 2.049 . . . . 99.989999999999995 112.311 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' W' W ' 531' ' ' LEU . . . . . 0.445 ' CD1' ' HA ' ' W' ' 536' ' ' SER . 3.9 mt -87.21 137.0 33.0 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.933 -0.576 . . . . 99.989999999999995 110.107 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' W' W ' 532' ' ' PRO . . . . . 0.475 ' HB2' ' CD1' ' W' ' 535' ' ' TRP . 77.4 Cg_exo -49.69 -176.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.329 2.02 . . . . 99.989999999999995 112.942 -179.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' W' W ' 533' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 19.0 Cg_exo -70.03 -2.47 10.43 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 123.26 2.64 . . . . 99.989999999999995 115.142 -177.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' W' W ' 534' ' ' ARG . . . . . 0.431 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 16.2 mmt180 -150.5 39.52 0.73 Allowed 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 120.089 -0.645 . . . . 99.989999999999995 111.709 -179.142 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' W' W ' 535' ' ' TRP . . . . . 0.516 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 31.9 m95 -138.82 169.66 17.4 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.729 0.64 . . . . 99.989999999999995 112.729 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' W' W ' 536' ' ' SER . . . . . 0.445 ' HA ' ' CD1' ' W' ' 531' ' ' LEU . 0.1 OUTLIER -144.12 -158.5 0.89 Allowed 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 114.962 -1.017 . . . . 99.989999999999995 110.44 -179.884 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' W' W ' 537' ' ' MET . . . . . 0.426 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 34.5 mtp -143.5 145.75 32.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.41 -0.359 . . . . 99.989999999999995 110.607 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' W' W ' 538' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -169.2 134.1 1.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 99.989999999999995 111.408 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 11.7 t -85.67 125.62 40.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.09 -0.504 . . . . 99.989999999999995 110.577 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' W' W ' 540' ' ' ALA . . . . . 0.404 ' HB3' ' CE1' ' W' ' 546' ' ' PHE . . . -96.73 148.68 34.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.411 -0.358 . . . . 99.989999999999995 111.567 -179.203 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -56.69 -24.38 54.42 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.602 2.201 . . . . 99.989999999999995 111.723 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -48.09 -44.65 31.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.829 -0.623 . . . . 99.989999999999995 110.854 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 140.03 -16.32 3.01 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.78 -0.724 . . . . 99.989999999999995 112.722 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' W' W ' 544' ' ' ARG . . . . . 0.468 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -128.29 154.39 45.96 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.009 0.433 . . . . 99.989999999999995 111.253 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.14 144.75 42.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.755 -0.657 . . . . 99.989999999999995 110.411 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' W' W ' 546' ' ' PHE . . . . . 0.478 ' HB3' ' CZ3' ' W' ' 557' ' ' TRP . 13.0 p90 -119.97 162.6 18.93 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.217 -0.447 . . . . 99.989999999999995 110.915 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' W' W ' 547' ' ' PHE . . . . . 0.45 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.5 OUTLIER -109.35 127.45 54.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.948 -0.569 . . . . 99.989999999999995 111.148 -179.747 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' W' W ' 548' ' ' ILE . . . . . 0.514 ' CG2' ' CD2' ' P' ' 232' ' ' TYR . 2.7 mp -86.74 143.88 10.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.306 -0.861 . . . . 99.989999999999995 110.366 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' W' W ' 549' ' ' ASP . . . . . 0.442 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 26.0 t70 -123.66 114.23 19.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.681 -0.691 . . . . 99.989999999999995 111.171 -179.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -78.76 -34.4 45.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 99.989999999999995 111.063 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -49.57 -36.37 23.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 99.989999999999995 111.014 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.64 -3.11 8.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.028 -0.533 . . . . 99.989999999999995 111.603 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' W' W ' 553' ' ' ARG . . . . . 0.435 ' HA ' ' CD2' ' P' ' 232' ' ' TYR . 25.5 mmt85 61.26 58.83 2.08 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.734 0.302 . . . . 99.989999999999995 110.887 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' W' W ' 554' ' ' ARG . . . . . 0.418 ' CA ' ' HB3' ' P' ' 232' ' ' TYR . 39.3 mtp180 -149.58 -171.22 3.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 99.989999999999995 111.209 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 43.0 p -141.59 174.69 10.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 99.989999999999995 111.242 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' W' W ' 556' ' ' THR . . . . . 0.4 ' CA ' HD11 ' P' ' 229' ' ' LEU . 9.3 t -168.69 168.22 10.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 99.989999999999995 111.279 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' W' W ' 557' ' ' TRP . . . . . 0.481 ' CE2' ' HB2' ' P' ' 229' ' ' LEU . 27.7 m95 -91.6 20.51 5.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.987 -0.552 . . . . 99.989999999999995 111.293 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.4 mm -133.23 139.18 49.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.042 0.449 . . . . 99.989999999999995 111.917 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' W' W ' 559' ' ' ASP . . . . . 0.431 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 3.2 m-20 -93.57 113.77 61.17 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.699 -0.682 . . . . 99.989999999999995 111.282 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' W' W ' 560' ' ' PRO . . . . . 0.516 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 7.7 Cg_endo -52.94 -25.9 29.61 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 121.936 1.757 . . . . 99.989999999999995 111.692 179.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' W' W ' 561' ' ' ARG . . . . . 0.427 ' NE ' ' O ' ' W' ' 529' ' ' GLU . 0.5 OUTLIER -60.78 -26.39 67.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.853 -0.612 . . . . 99.989999999999995 110.593 179.694 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -134.3 -68.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 99.989999999999995 110.75 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 122.67 39.19 0.55 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.812 -0.709 . . . . 99.989999999999995 112.464 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -133.04 172.77 12.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.807 0.337 . . . . 99.989999999999995 111.044 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -67.12 65.09 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.043 -0.526 . . . . 99.989999999999995 111.494 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 3.6 p . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.369 -0.378 . . . . 99.989999999999995 111.387 179.716 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 120.853 0.358 . . . . 99.989999999999995 111.208 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . 139.91 50.9 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 99.989999999999995 112.327 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 229' ' ' LEU . . . . . 0.481 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 3.5 tp -111.62 87.67 8.39 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.627 0.251 . . . . 99.989999999999995 110.977 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -51.54 101.22 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.316 2.01 . . . . 99.989999999999995 111.735 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 52.5 p -51.3 152.0 2.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.186 -0.461 . . . . 99.989999999999995 111.038 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 232' ' ' TYR . . . . . 0.514 ' CD2' ' CG2' ' W' ' 548' ' ' ILE . 1.2 t80 -62.17 81.99 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.796 -0.638 . . . . 99.989999999999995 111.085 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 5.8 t70 179.89 -37.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.939 -0.573 . . . . 99.989999999999995 110.467 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.49 18.4 13.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.007 -0.542 . . . . 99.989999999999995 111.15 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -113.29 -36.92 4.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.87 0.367 . . . . 99.989999999999995 111.231 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 1.6 tt -59.06 122.97 15.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 99.989999999999995 111.014 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 99.989999999999995 110.92 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' W' W ' 521' ' ' GLY . . . . . 0.777 ' H2 ' ' CA ' ' W' ' 521' ' ' GLY . . . . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 110.094 -1.203 . . . . 99.989999999999995 110.094 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' W' W ' 522' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' W' ' 521' ' ' GLY . 51.8 Cg_exo -54.31 -170.51 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.602 2.202 . . . . 99.989999999999995 112.238 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' W' W ' 523' ' ' LEU . . . . . 0.441 ' CD2' ' N ' ' W' ' 523' ' ' LEU . 0.3 OUTLIER -138.18 41.43 2.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 99.989999999999995 110.942 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -106.57 -23.64 7.11 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.719 -0.753 . . . . 99.989999999999995 112.503 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 2.0 t -76.17 83.32 2.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.858 0.361 . . . . 99.989999999999995 110.842 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -123.37 -133.94 4.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 99.989999999999995 112.541 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.1 -62.2 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.77 0.319 . . . . 99.989999999999995 111.035 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -134.27 119.56 18.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 99.989999999999995 111.008 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' W' W ' 529' ' ' GLU . . . . . 0.429 ' CB ' ' HB2' ' W' ' 561' ' ' ARG . 2.5 tp10 -104.27 154.81 38.01 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 99.989999999999995 110.416 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -86.91 30.55 0.47 Allowed 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.978 2.452 . . . . 99.989999999999995 113.043 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' W' W ' 531' ' ' LEU . . . . . 0.477 HD22 ' CZ ' ' W' ' 547' ' ' PHE . 2.2 mt 61.96 132.2 0.03 OUTLIER Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 120.548 0.213 . . . . 99.989999999999995 110.595 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' W' W ' 532' ' ' PRO . . . . . 0.465 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 75.2 Cg_exo -50.23 -174.23 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.415 2.077 . . . . 99.989999999999995 113.057 -179.542 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' W' W ' 533' ' ' PRO . . . . . 0.465 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 22.0 Cg_exo -68.77 -13.18 36.43 Favored 'Trans proline' 0 CA--C 1.518 -0.299 0 C-N-CA 123.313 2.675 . . . . 99.989999999999995 115.154 -178.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' W' W ' 534' ' ' ARG . . . . . 0.438 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 11.3 mmt180 -142.82 45.33 1.59 Allowed 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 120.263 -0.575 . . . . 99.989999999999995 111.788 -178.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' W' W ' 535' ' ' TRP . . . . . 0.505 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 38.5 m95 -141.8 169.54 17.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.211 0.529 . . . . 99.989999999999995 112.383 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' W' W ' 536' ' ' SER . . . . . 0.428 ' HA ' ' CD1' ' W' ' 531' ' ' LEU . 0.1 OUTLIER -145.81 -158.87 0.94 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.34 -0.846 . . . . 99.989999999999995 110.412 179.879 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' W' W ' 537' ' ' MET . . . . . 0.43 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 27.4 mtp -145.52 146.76 31.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.833 0.349 . . . . 99.989999999999995 110.958 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' W' W ' 538' ' ' GLN . . . . . 0.482 ' HG2' ' CZ ' ' W' ' 546' ' ' PHE . 41.2 tt0 -168.95 137.32 2.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.508 . . . . 99.989999999999995 110.961 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 31.8 t -85.88 130.35 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 99.989999999999995 110.86 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' W' W ' 540' ' ' ALA . . . . . 0.481 ' HB3' ' CE1' ' W' ' 546' ' ' PHE . . . -100.36 148.52 35.04 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.155 -0.475 . . . . 99.989999999999995 111.355 -179.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.11 -22.73 65.68 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.513 2.142 . . . . 99.989999999999995 111.547 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -49.5 -43.77 45.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.854 -0.612 . . . . 99.989999999999995 110.745 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 140.18 -14.19 3.03 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 99.989999999999995 112.692 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' W' W ' 544' ' ' ARG . . . . . 0.484 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.15 155.19 47.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.953 0.406 . . . . 99.989999999999995 111.235 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.08 146.4 35.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.969 -0.56 . . . . 99.989999999999995 110.097 179.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' W' W ' 546' ' ' PHE . . . . . 0.482 ' CZ ' ' HG2' ' W' ' 538' ' ' GLN . 5.9 p90 -119.11 166.03 13.42 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.043 0.449 . . . . 99.989999999999995 111.137 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' W' W ' 547' ' ' PHE . . . . . 0.489 ' CE2' ' HB3' ' W' ' 559' ' ' ASP . 0.3 OUTLIER -111.01 123.01 49.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.88 -0.6 . . . . 99.989999999999995 111.371 -179.463 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' W' W ' 548' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' W' ' 535' ' ' TRP . 3.1 mt -83.27 144.35 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 CA-C-N 115.393 -0.821 . . . . 99.989999999999995 110.371 179.52 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' W' W ' 549' ' ' ASP . . . . . 0.454 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 58.7 t0 -123.37 115.71 22.09 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.718 -0.674 . . . . 99.989999999999995 110.792 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -79.58 -29.65 41.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 99.989999999999995 110.847 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -52.28 -46.1 65.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 99.989999999999995 110.875 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.62 -4.77 13.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.051 -0.522 . . . . 99.989999999999995 111.513 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' W' W ' 553' ' ' ARG . . . . . 0.477 ' HA ' ' CD2' ' P' ' 232' ' ' TYR . 0.8 OUTLIER 65.02 49.45 2.06 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.782 0.325 . . . . 99.989999999999995 110.956 -179.725 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 10.3 mtp85 -141.43 -172.45 3.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.325 -0.398 . . . . 99.989999999999995 110.963 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' W' W ' 555' ' ' THR . . . . . 0.434 HG23 ' N ' ' P' ' 232' ' ' TYR . 52.8 p -135.87 -176.84 4.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.863 0.363 . . . . 99.989999999999995 111.432 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -174.48 166.1 3.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.91 -0.586 . . . . 99.989999999999995 111.157 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' W' W ' 557' ' ' TRP . . . . . 0.497 ' CE2' ' HB2' ' P' ' 229' ' ' LEU . 22.2 m95 -91.29 19.25 6.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.016 -0.538 . . . . 99.989999999999995 111.418 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 4.9 mm -132.5 140.21 48.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.001 0.429 . . . . 99.989999999999995 111.826 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' W' W ' 559' ' ' ASP . . . . . 0.489 ' HB3' ' CE2' ' W' ' 547' ' ' PHE . 21.5 p30 -94.06 110.78 50.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.756 -0.656 . . . . 99.989999999999995 110.882 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' W' W ' 560' ' ' PRO . . . . . 0.505 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 5.0 Cg_endo -50.89 -31.36 33.52 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.212 1.942 . . . . 99.989999999999995 112.217 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' W' W ' 561' ' ' ARG . . . . . 0.429 ' HB2' ' CB ' ' W' ' 529' ' ' GLU . 0.1 OUTLIER -56.13 -22.39 28.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 99.989999999999995 111.015 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' W' W ' 562' ' ' ASN . . . . . 0.42 ' ND2' ' OD2' ' W' ' 559' ' ' ASP . 3.3 m-20 -136.63 -65.6 0.55 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.858 0.361 . . . . 99.989999999999995 110.906 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 122.49 33.2 0.89 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 99.989999999999995 112.534 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -134.61 179.05 6.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.938 0.399 . . . . 99.989999999999995 110.853 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -56.72 111.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 99.989999999999995 111.061 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.077 -0.511 . . . . 99.989999999999995 110.996 -179.84 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 17.0 p . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.822 0.344 . . . . 99.989999999999995 111.197 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . 66.01 44.0 92.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.788 -0.72 . . . . 99.989999999999995 112.562 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 229' ' ' LEU . . . . . 0.497 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 1.0 OUTLIER -110.17 91.48 11.46 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.732 0.301 . . . . 99.989999999999995 111.026 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' P' P ' 230' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' W' ' 540' ' ' ALA . 76.9 Cg_exo -49.48 91.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.54 2.16 . . . . 99.989999999999995 111.776 179.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -48.29 161.26 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 99.989999999999995 111.403 -179.42 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 232' ' ' TYR . . . . . 0.477 ' CD2' ' HA ' ' W' ' 553' ' ' ARG . 1.0 OUTLIER -70.55 76.36 0.58 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.777 -0.647 . . . . 99.989999999999995 110.889 -179.888 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -176.52 -44.09 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.767 -0.651 . . . . 99.989999999999995 110.419 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -114.64 21.34 14.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.975 -0.557 . . . . 99.989999999999995 110.958 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -114.11 -40.23 3.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.312 -0.403 . . . . 99.989999999999995 110.841 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.04 -43.61 73.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 99.989999999999995 110.814 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 99.989999999999995 110.891 179.947 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' W' W ' 521' ' ' GLY . . . . . 0.774 ' H2 ' ' CA ' ' W' ' 521' ' ' GLY . . . . . . . . 0 N--CA 1.449 -0.455 0 N-CA-C 110.101 -1.199 . . . . 99.989999999999995 110.101 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' W' W ' 522' ' ' PRO . . . . . 0.613 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 56.0 Cg_endo -69.93 -177.18 1.81 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.573 2.182 . . . . 99.989999999999995 112.312 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 2.2 tp -100.33 71.24 1.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 99.989999999999995 110.805 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -49.32 155.77 1.84 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.815 -0.707 . . . . 99.989999999999995 112.549 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 1.4 m -100.41 27.4 5.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.371 . . . . 99.989999999999995 110.862 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -107.59 173.75 18.85 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.771 -0.728 . . . . 99.989999999999995 112.676 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.89 26.62 3.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.849 0.357 . . . . 99.989999999999995 110.913 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -66.57 85.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 99.989999999999995 110.757 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' W' W ' 529' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.22 149.59 94.3 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 99.989999999999995 111.077 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.46 136.75 73.66 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.662 2.242 . . . . 99.989999999999995 112.706 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' W' W ' 531' ' ' LEU . . . . . 0.443 ' CD2' ' HG3' ' W' ' 537' ' ' MET . 4.0 mt -90.37 136.75 28.08 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.992 -0.549 . . . . 99.989999999999995 109.753 179.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' W' W ' 532' ' ' PRO . . . . . 0.483 ' HB2' ' CD1' ' W' ' 535' ' ' TRP . 74.6 Cg_exo -49.72 -176.76 0.01 OUTLIER 'Trans proline' 0 CA--C 1.53 0.309 0 C-N-CA 122.322 2.015 . . . . 99.989999999999995 113.31 -178.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' W' W ' 533' ' ' PRO . . . . . 0.419 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 19.1 Cg_exo -70.01 -2.99 11.28 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 123.472 2.781 . . . . 99.989999999999995 115.159 -177.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' W' W ' 534' ' ' ARG . . . . . 0.439 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 5.7 mmt180 -149.85 40.08 0.8 Allowed 'General case' 0 C--N 1.314 -0.939 0 C-N-CA 120.23 -0.588 . . . . 99.989999999999995 111.511 -179.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' W' W ' 535' ' ' TRP . . . . . 0.488 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 30.1 m95 -140.22 169.29 17.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.391 0.615 . . . . 99.989999999999995 112.467 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' W' W ' 536' ' ' SER . . . . . 0.435 ' HA ' ' CD1' ' W' ' 531' ' ' LEU . 0.2 OUTLIER -146.29 -160.87 1.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.077 -0.965 . . . . 99.989999999999995 110.291 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' W' W ' 537' ' ' MET . . . . . 0.443 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 37.2 mtp -142.29 136.78 30.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.194 -0.457 . . . . 99.989999999999995 110.67 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' W' W ' 538' ' ' GLN . . . . . 0.475 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 1.4 tp60 -159.61 129.07 5.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.357 -0.383 . . . . 99.989999999999995 111.122 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' W' W ' 539' ' ' VAL . . . . . 0.457 ' CG2' ' CG2' ' W' ' 545' ' ' THR . 21.4 t -79.45 131.51 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 99.989999999999995 110.707 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' W' W ' 540' ' ' ALA . . . . . 0.481 ' HB1' ' CE1' ' W' ' 546' ' ' PHE . . . -99.21 151.9 37.58 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 99.989999999999995 111.207 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -60.85 -23.49 76.96 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.458 2.105 . . . . 99.989999999999995 111.41 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -48.77 -38.89 23.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.713 -0.676 . . . . 99.989999999999995 110.703 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 132.3 -11.23 5.29 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.785 -0.722 . . . . 99.989999999999995 112.645 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' W' W ' 544' ' ' ARG . . . . . 0.477 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.2 156.34 45.51 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.988 0.423 . . . . 99.989999999999995 111.136 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' W' W ' 545' ' ' THR . . . . . 0.457 ' CG2' ' CG2' ' W' ' 539' ' ' VAL . 0.6 OUTLIER -83.12 146.46 28.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.874 -0.603 . . . . 99.989999999999995 110.517 179.628 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' W' W ' 546' ' ' PHE . . . . . 0.481 ' CE1' ' HB1' ' W' ' 540' ' ' ALA . 5.3 p90 -119.38 -178.4 3.59 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.177 -0.465 . . . . 99.989999999999995 110.88 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' W' W ' 547' ' ' PHE . . . . . 0.486 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.5 OUTLIER -124.48 124.17 41.72 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 115.974 -0.557 . . . . 99.989999999999995 110.886 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' W' W ' 548' ' ' ILE . . . . . 0.492 ' CG2' ' CD2' ' P' ' 232' ' ' TYR . 2.9 mp -85.1 146.52 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 CA-C-N 115.363 -0.835 . . . . 99.989999999999995 110.553 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -123.76 113.02 18.02 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.545 -0.752 . . . . 99.989999999999995 110.813 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' W' W ' 550' ' ' HIS . . . . . 0.413 ' CD2' ' N ' ' W' ' 550' ' ' HIS . 6.9 m170 -77.99 -32.11 51.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 99.989999999999995 111.027 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -48.56 -41.75 31.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.299 -0.41 . . . . 99.989999999999995 111.129 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.65 1.68 9.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 99.989999999999995 111.531 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' W' W ' 553' ' ' ARG . . . . . 0.465 ' HD3' ' CE2' ' P' ' 232' ' ' TYR . 25.9 mmt85 60.63 60.79 1.85 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.777 0.323 . . . . 99.989999999999995 110.941 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 49.9 mtm180 -146.89 -167.04 2.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 99.989999999999995 110.723 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' W' W ' 555' ' ' THR . . . . . 0.44 HG23 ' N ' ' P' ' 232' ' ' TYR . 63.6 p -146.05 178.74 7.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.829 0.347 . . . . 99.989999999999995 110.931 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -171.75 164.13 6.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 99.989999999999995 111.318 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' W' W ' 557' ' ' TRP . . . . . 0.482 ' CE2' ' HB2' ' P' ' 229' ' ' LEU . 20.6 m95 -87.89 16.53 5.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.002 -0.545 . . . . 99.989999999999995 111.539 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.0 mm -128.58 142.4 44.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.057 0.456 . . . . 99.989999999999995 111.686 -178.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' W' W ' 559' ' ' ASP . . . . . 0.462 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 1.3 m-20 -98.84 110.68 58.33 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.686 -0.688 . . . . 99.989999999999995 110.97 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' W' W ' 560' ' ' PRO . . . . . 0.488 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 3.3 Cg_endo -49.32 -34.33 31.62 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.88 1.72 . . . . 99.989999999999995 111.263 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.7 -28.37 33.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.756 -0.656 . . . . 99.989999999999995 110.587 179.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -130.07 -68.12 0.72 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 99.989999999999995 111.045 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 119.5 39.28 0.68 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.713 -0.756 . . . . 99.989999999999995 112.424 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.56 175.45 9.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.611 0.243 . . . . 99.989999999999995 110.903 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -65.93 67.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.311 -0.404 . . . . 99.989999999999995 111.57 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.437 . . . . 99.989999999999995 111.326 179.647 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.74 0.305 . . . . 99.989999999999995 111.03 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . -120.68 73.46 0.34 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.745 . . . . 99.989999999999995 112.53 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 229' ' ' LEU . . . . . 0.482 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 0.5 OUTLIER -109.51 81.26 1.77 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.617 0.246 . . . . 99.989999999999995 111.351 -179.891 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -43.43 100.48 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.419 2.079 . . . . 99.989999999999995 111.749 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.5 157.55 1.04 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.981 -0.554 . . . . 99.989999999999995 111.268 -179.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 232' ' ' TYR . . . . . 0.492 ' CD2' ' CG2' ' W' ' 548' ' ' ILE . 1.0 OUTLIER -68.27 73.35 0.21 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.725 -0.67 . . . . 99.989999999999995 110.625 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -171.52 -40.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.837 -0.62 . . . . 99.989999999999995 110.563 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -109.13 16.38 22.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 99.989999999999995 111.293 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -109.57 -40.95 4.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.733 0.301 . . . . 99.989999999999995 111.147 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.19 110.68 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 99.989999999999995 110.841 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 99.989999999999995 110.93 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' W' W ' 521' ' ' GLY . . . . . 0.781 ' H1 ' ' CA ' ' W' ' 521' ' ' GLY . . . . . . . . 0 N--CA 1.449 -0.449 0 N-CA-C 110.112 -1.195 . . . . 99.989999999999995 110.112 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' W' W ' 522' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' W' ' 521' ' ' GLY . 74.1 Cg_exo -51.25 157.98 3.98 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.606 2.204 . . . . 99.989999999999995 112.308 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 3.5 mt -56.43 91.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 99.989999999999995 110.927 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -156.73 -89.85 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.619 -0.8 . . . . 99.989999999999995 112.543 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 41.9 t -163.71 94.11 0.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.874 0.369 . . . . 99.989999999999995 110.88 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -157.91 -62.99 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.698 -0.763 . . . . 99.989999999999995 112.556 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.74 -76.69 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.342 . . . . 99.989999999999995 111.003 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 69.34 -171.47 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 99.989999999999995 110.803 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' W' W ' 529' ' ' GLU . . . . . 0.438 ' CB ' ' HD2' ' W' ' 561' ' ' ARG . 0.6 OUTLIER -65.53 148.98 97.77 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.42 . . . . 99.989999999999995 110.883 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -88.47 31.73 0.41 Allowed 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 122.92 2.413 . . . . 99.989999999999995 112.789 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' W' W ' 531' ' ' LEU . . . . . 0.409 ' CD2' ' HG3' ' W' ' 537' ' ' MET . 10.0 mt 57.35 107.81 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.689 -0.232 . . . . 99.989999999999995 110.564 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' W' W ' 532' ' ' PRO . . . . . 0.477 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 23.3 Cg_exo -41.45 170.94 0.01 OUTLIER 'Trans proline' 0 CA--C 1.534 0.486 0 C-N-CA 123.269 2.646 . . . . 99.989999999999995 113.307 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' W' W ' 533' ' ' PRO . . . . . 0.477 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 35.9 Cg_exo -31.52 -62.61 0.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 123.871 3.047 . . . . 99.989999999999995 115.03 -178.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' W' W ' 534' ' ' ARG . . . . . 0.476 ' O ' ' CG ' ' W' ' 535' ' ' TRP . 10.1 mmm180 -116.82 70.73 0.78 Allowed 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.853 -0.612 . . . . 99.989999999999995 111.343 -178.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' W' W ' 535' ' ' TRP . . . . . 0.51 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 96.3 m95 -159.81 153.7 23.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.072 -0.513 . . . . 99.989999999999995 111.818 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' W' W ' 536' ' ' SER . . . . . . . . . . . . . 3.5 m -154.84 -174.35 4.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.804 -0.635 . . . . 99.989999999999995 110.829 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' W' W ' 537' ' ' MET . . . . . 0.409 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 3.9 mtm -124.26 150.18 45.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.996 -0.547 . . . . 99.989999999999995 110.74 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' W' W ' 538' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -168.09 141.62 3.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.339 -0.391 . . . . 99.989999999999995 111.076 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 12.9 p -87.52 136.98 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 99.989999999999995 110.82 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' W' W ' 540' ' ' ALA . . . . . 0.449 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -109.02 157.09 37.92 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 99.989999999999995 111.241 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -62.0 -30.43 83.15 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.64 2.227 . . . . 99.989999999999995 111.879 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -48.99 -34.23 12.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.948 -0.569 . . . . 99.989999999999995 110.906 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 124.8 -3.92 8.57 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.654 -0.784 . . . . 99.989999999999995 113.2 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' W' W ' 544' ' ' ARG . . . . . 0.511 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 2.4 ptt180 -130.84 152.21 50.43 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 117.036 0.418 . . . . 99.989999999999995 111.153 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.64 146.88 32.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 99.989999999999995 111.048 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' W' W ' 546' ' ' PHE . . . . . 0.503 ' HB3' ' CZ3' ' W' ' 557' ' ' TRP . 23.0 p90 -128.96 168.7 15.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.078 -0.51 . . . . 99.989999999999995 111.015 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' W' W ' 547' ' ' PHE . . . . . 0.486 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.9 OUTLIER -102.62 150.71 23.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.966 -0.561 . . . . 99.989999999999995 110.377 179.176 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' W' W ' 548' ' ' ILE . . . . . 0.464 ' CG2' ' CD2' ' P' ' 232' ' ' TYR . 4.7 mt -107.41 109.42 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.32 -0.4 . . . . 99.989999999999995 112.016 -179.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' W' W ' 549' ' ' ASP . . . . . 0.474 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 17.1 t70 -83.18 105.8 14.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.987 -0.551 . . . . 99.989999999999995 110.89 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' W' W ' 550' ' ' HIS . . . . . 0.4 ' HB2' ' HB3' ' W' ' 534' ' ' ARG . 22.4 m-70 -75.03 -26.05 59.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 99.989999999999995 110.794 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -53.34 -34.01 55.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 99.989999999999995 111.01 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.91 18.53 3.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 99.989999999999995 111.279 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? 49.15 49.32 19.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.849 0.357 . . . . 99.989999999999995 111.034 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -126.58 -176.72 3.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 99.989999999999995 110.96 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 20.0 p -135.57 170.69 15.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 99.989999999999995 111.1 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -165.94 157.99 14.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.368 . . . . 99.989999999999995 111.256 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' W' W ' 557' ' ' TRP . . . . . 0.511 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 16.8 m95 -84.31 11.86 7.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.096 -0.502 . . . . 99.989999999999995 112.072 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' W' W ' 558' ' ' ILE . . . . . 0.427 HG22 ' N ' ' W' ' 559' ' ' ASP . 4.9 mm -132.1 156.29 42.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.891 0.377 . . . . 99.989999999999995 111.673 -179.088 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' W' W ' 559' ' ' ASP . . . . . 0.472 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 2.5 p30 -114.66 134.05 22.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.925 -0.58 . . . . 99.989999999999995 111.178 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' W' W ' 560' ' ' PRO . . . . . 0.51 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 45.2 Cg_endo -72.38 -3.05 12.67 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.446 2.097 . . . . 99.989999999999995 112.702 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' W' W ' 561' ' ' ARG . . . . . 0.438 ' HD2' ' CB ' ' W' ' 529' ' ' GLU . 7.1 mtm180 -80.85 -34.75 33.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.016 0.436 . . . . 99.989999999999995 110.239 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -129.03 -43.42 1.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.787 -0.642 . . . . 99.989999999999995 110.572 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 101.3 23.13 9.84 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.92 -0.657 . . . . 99.989999999999995 112.306 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -124.89 171.5 10.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 99.989999999999995 110.834 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -56.77 98.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 99.989999999999995 111.031 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 99.989999999999995 110.912 179.884 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 20.7 p . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.825 0.345 . . . . 99.989999999999995 111.029 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . 96.76 23.27 16.04 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.726 -0.749 . . . . 99.989999999999995 112.513 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 229' ' ' LEU . . . . . . . . . . . . . 6.4 tp -96.12 110.43 52.08 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.463 0.173 . . . . 99.989999999999995 110.948 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.68 -150.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.442 2.095 . . . . 99.989999999999995 111.575 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 5.5 t -168.69 52.16 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.984 -0.286 . . . . 99.989999999999995 111.412 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 232' ' ' TYR . . . . . 0.464 ' CD2' ' CG2' ' W' ' 548' ' ' ILE . 0.9 OUTLIER 68.38 -64.83 0.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.382 -0.372 . . . . 99.989999999999995 111.063 179.326 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -63.19 -34.49 77.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 99.989999999999995 110.869 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -95.58 31.97 1.91 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 99.989999999999995 110.75 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -174.77 87.83 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 99.989999999999995 110.978 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.53 41.19 0.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 99.989999999999995 110.921 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 99.989999999999995 110.875 -179.965 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' W' W ' 521' ' ' GLY . . . . . 0.78 ' H2 ' ' CA ' ' W' ' 521' ' ' GLY . . . . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 110.09 -1.204 . . . . 99.989999999999995 110.09 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' W' W ' 522' ' ' PRO . . . . . 0.589 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 55.7 Cg_endo -70.57 158.43 55.92 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.588 2.192 . . . . 99.989999999999995 112.383 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.77 -31.03 72.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.068 -0.514 . . . . 99.989999999999995 110.874 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . 102.25 -25.74 26.67 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.729 . . . . 99.989999999999995 112.596 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 69.83 25.67 4.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 99.989999999999995 110.869 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -120.28 -89.69 1.15 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.7 -0.762 . . . . 99.989999999999995 112.66 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -159.33 -43.17 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 99.989999999999995 111.083 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 70.56 -73.35 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.072 0.463 . . . . 99.989999999999995 110.923 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' W' W ' 529' ' ' GLU . . . . . 0.413 ' O ' ' NH1' ' W' ' 561' ' ' ARG . 15.7 tp10 -178.43 132.78 0.3 Allowed Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.701 -0.682 . . . . 99.989999999999995 110.884 179.857 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -84.08 136.97 7.12 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.73 2.286 . . . . 99.989999999999995 112.492 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' W' W ' 531' ' ' LEU . . . . . 0.524 ' CD2' ' CE2' ' W' ' 547' ' ' PHE . 2.1 mt -54.15 135.33 59.24 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.395 -0.366 . . . . 99.989999999999995 110.631 179.903 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' W' W ' 532' ' ' PRO . . . . . 0.453 ' HG2' ' HG2' ' W' ' 560' ' ' PRO . 70.9 Cg_exo -50.35 -178.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.668 2.246 . . . . 99.989999999999995 113.359 -179.479 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' W' W ' 533' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 37.7 Cg_exo -54.41 -29.38 58.52 Favored 'Trans proline' 0 CA--C 1.516 -0.383 0 C-N-CA 123.446 2.764 . . . . 99.989999999999995 114.961 -178.498 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' W' W ' 534' ' ' ARG . . . . . . . . . . . . . 13.9 mmm-85 -132.3 53.32 2.01 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 112.206 0.447 . . . . 99.989999999999995 112.206 -178.104 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' W' W ' 535' ' ' TRP . . . . . 0.527 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 58.2 m95 -144.72 161.35 39.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.253 0.549 . . . . 99.989999999999995 112.399 179.681 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' W' W ' 536' ' ' SER . . . . . 0.434 ' HA ' ' CD1' ' W' ' 531' ' ' LEU . 1.2 m -150.74 -171.37 3.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.304 -0.862 . . . . 99.989999999999995 110.23 -179.85 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' W' W ' 537' ' ' MET . . . . . . . . . . . . . 45.6 mtm -134.76 148.32 50.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.273 -0.421 . . . . 99.989999999999995 110.748 179.846 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' W' W ' 538' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -164.19 151.59 12.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 99.989999999999995 111.011 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 8.0 t -99.02 132.06 45.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 99.989999999999995 110.761 179.749 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' W' W ' 540' ' ' ALA . . . . . 0.421 ' HB3' ' CD1' ' W' ' 546' ' ' PHE . . . -105.21 165.25 13.51 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 99.989999999999995 111.16 -179.654 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -66.11 -24.34 52.07 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.555 2.17 . . . . 99.989999999999995 111.687 179.667 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' W' W ' 542' ' ' ASN . . . . . 0.454 ' ND2' ' NE ' ' W' ' 544' ' ' ARG . 53.9 t30 -51.73 -25.72 7.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.88 -0.6 . . . . 99.989999999999995 110.726 179.698 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 114.4 -7.48 22.73 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 99.989999999999995 113.012 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' W' W ' 544' ' ' ARG . . . . . 0.498 ' HG3' ' CE3' ' W' ' 557' ' ' TRP . 9.0 ptp180 -131.04 158.44 40.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.999 0.399 . . . . 99.989999999999995 111.201 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.86 146.73 27.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.971 -0.559 . . . . 99.989999999999995 110.827 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' W' W ' 546' ' ' PHE . . . . . 0.494 ' HB3' ' CZ3' ' W' ' 557' ' ' TRP . 3.8 p90 -119.5 173.57 6.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.293 -0.412 . . . . 99.989999999999995 111.304 -179.907 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' W' W ' 547' ' ' PHE . . . . . 0.524 ' CE2' ' CD2' ' W' ' 531' ' ' LEU . 2.2 m-85 -112.87 123.53 50.52 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 121.294 0.569 . . . . 99.989999999999995 111.321 -179.886 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' W' W ' 548' ' ' ILE . . . . . 0.463 ' CG2' ' CD2' ' P' ' 232' ' ' TYR . 4.5 mt -83.42 146.63 6.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.217 -0.902 . . . . 99.989999999999995 110.83 179.724 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -123.85 100.86 6.97 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.779 -0.646 . . . . 99.989999999999995 110.787 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' W' W ' 550' ' ' HIS . . . . . 0.46 ' HA ' ' CE2' ' P' ' 232' ' ' TYR . 21.4 m-70 -69.9 -24.57 63.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 99.989999999999995 111.05 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -63.36 -60.55 3.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 99.989999999999995 111.071 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.38 -1.38 41.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 99.989999999999995 111.646 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? 61.54 53.74 3.25 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.82 0.343 . . . . 99.989999999999995 110.81 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -137.9 179.14 6.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 99.989999999999995 111.027 -179.861 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 55.1 p -135.48 164.49 27.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.994 -0.548 . . . . 99.989999999999995 110.734 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' W' W ' 556' ' ' THR . . . . . 0.418 ' N ' HD12 ' P' ' 229' ' ' LEU . 2.8 t -161.06 165.47 29.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.967 0.413 . . . . 99.989999999999995 111.408 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' W' W ' 557' ' ' TRP . . . . . 0.498 ' CE3' ' HG3' ' W' ' 544' ' ' ARG . 12.1 m95 -91.84 8.26 38.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.95 -0.568 . . . . 99.989999999999995 111.814 -179.86 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' W' W ' 558' ' ' ILE . . . . . 0.439 HD11 HG21 ' W' ' 558' ' ' ILE . 5.4 mm -131.35 146.94 32.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.852 0.358 . . . . 99.989999999999995 111.095 -179.59 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' W' W ' 559' ' ' ASP . . . . . 0.502 ' CB ' ' CZ ' ' W' ' 547' ' ' PHE . 2.7 p30 -90.34 140.03 26.97 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.482 . . . . 99.989999999999995 111.231 -179.635 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' W' W ' 560' ' ' PRO . . . . . 0.527 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 45.4 Cg_endo -85.66 7.08 5.25 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.768 2.312 . . . . 99.989999999999995 112.594 179.484 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' W' W ' 561' ' ' ARG . . . . . 0.413 ' NH1' ' O ' ' W' ' 529' ' ' GLU . 6.5 mtm180 -83.5 -44.6 14.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.978 0.418 . . . . 99.989999999999995 110.446 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' W' W ' 562' ' ' ASN . . . . . 0.424 ' ND2' ' OD1' ' W' ' 559' ' ' ASP . 0.3 OUTLIER -141.32 19.44 2.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.948 -0.569 . . . . 99.989999999999995 111.193 179.681 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 54.07 49.52 58.93 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.835 -0.698 . . . . 99.989999999999995 112.763 179.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.53 154.19 47.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.766 0.317 . . . . 99.989999999999995 110.831 179.841 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -74.76 137.3 41.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 99.989999999999995 111.12 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 99.989999999999995 110.914 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 36.5 p . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.863 0.363 . . . . 99.989999999999995 111.059 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . -137.35 21.73 3.26 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.715 -0.755 . . . . 99.989999999999995 112.54 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' P' P ' 229' ' ' LEU . . . . . 0.455 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 0.4 OUTLIER -98.87 106.27 36.51 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.501 0.191 . . . . 99.989999999999995 110.801 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -58.69 -149.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.595 2.197 . . . . 99.989999999999995 112.071 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 2.1 m -151.41 166.88 29.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.903 0.383 . . . . 99.989999999999995 111.266 -179.775 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' P' P ' 232' ' ' TYR . . . . . 0.463 ' CD2' ' CG2' ' W' ' 548' ' ' ILE . 2.6 t80 -65.71 88.39 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.916 -0.584 . . . . 99.989999999999995 110.925 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 171.96 -51.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.405 . . . . 99.989999999999995 110.859 179.798 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -104.83 38.85 1.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 99.989999999999995 110.91 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -157.1 29.44 0.3 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.097 -0.501 . . . . 99.989999999999995 111.071 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 3.0 mp -94.89 -29.71 14.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 99.989999999999995 110.808 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 99.989999999999995 110.921 179.978 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' W' W ' 521' ' ' GLY . . . . . 1.261 ' H1 ' ' N ' ' W' ' 521' ' ' GLY . . . . . . . . 0 N--CA 1.449 -0.492 0 N-CA-C 110.093 -1.203 . . . . 99.989999999999995 110.093 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' W' W ' 522' ' ' PRO . . . . . 0.679 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 29.5 Cg_endo -62.66 -46.52 11.2 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.691 2.26 . . . . 99.989999999999995 112.158 179.89 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -157.09 85.54 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 99.989999999999995 110.787 179.901 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . 88.2 -122.3 6.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 99.989999999999995 112.521 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.37 149.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.772 0.32 . . . . 99.989999999999995 110.933 -179.915 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . 103.91 -120.02 6.53 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.669 -0.777 . . . . 99.989999999999995 112.494 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -176.6 -66.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 99.989999999999995 110.837 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.08 87.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 99.989999999999995 110.957 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' W' W ' 529' ' ' GLU . . . . . 0.412 ' O ' ' CZ ' ' W' ' 561' ' ' ARG . 3.4 tp10 -78.43 138.74 59.28 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 99.989999999999995 110.695 179.793 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -51.53 173.24 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.503 2.135 . . . . 99.989999999999995 112.348 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' W' W ' 531' ' ' LEU . . . . . 0.449 ' CD2' ' HG3' ' W' ' 537' ' ' MET . 4.3 mt -93.61 138.32 22.95 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 99.989999999999995 110.548 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' W' W ' 532' ' ' PRO . . . . . 0.471 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 71.1 Cg_exo -50.55 -174.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.659 2.239 . . . . 99.989999999999995 113.376 -179.176 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' W' W ' 533' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 16.7 Cg_exo -71.74 -5.18 16.53 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.552 2.835 . . . . 99.989999999999995 115.14 -177.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' W' W ' 534' ' ' ARG . . . . . 0.443 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 8.1 mmt85 -146.43 38.6 1.05 Allowed 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.201 -0.599 . . . . 99.989999999999995 111.664 -179.03 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' W' W ' 535' ' ' TRP . . . . . 0.514 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 33.7 m95 -140.07 169.02 18.46 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.612 0.597 . . . . 99.989999999999995 112.612 -179.657 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' W' W ' 536' ' ' SER . . . . . 0.443 ' HA ' ' CD1' ' W' ' 531' ' ' LEU . 0.1 OUTLIER -149.15 -159.02 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.186 -0.915 . . . . 99.989999999999995 110.336 -179.909 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' W' W ' 537' ' ' MET . . . . . 0.449 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 28.0 mtm -142.88 145.74 33.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.836 0.351 . . . . 99.989999999999995 110.997 179.929 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' W' W ' 538' ' ' GLN . . . . . 0.48 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 4.3 tp-100 -168.97 132.57 1.38 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.057 -0.519 . . . . 99.989999999999995 110.748 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' W' W ' 539' ' ' VAL . . . . . 0.403 HG23 ' CG2' ' W' ' 545' ' ' THR . 13.6 t -83.68 128.43 38.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.924 0.392 . . . . 99.989999999999995 110.941 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' W' W ' 540' ' ' ALA . . . . . 0.466 ' HB1' ' CE1' ' W' ' 546' ' ' PHE . . . -91.39 150.66 41.7 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 99.989999999999995 111.132 -179.794 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.01 -23.56 73.51 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.494 2.129 . . . . 99.989999999999995 111.753 179.571 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -52.99 -32.14 44.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.824 -0.625 . . . . 99.989999999999995 110.7 179.648 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 124.07 -4.81 9.0 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.791 -0.719 . . . . 99.989999999999995 113.163 179.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' W' W ' 544' ' ' ARG . . . . . 0.487 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.3 OUTLIER -131.24 153.07 49.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 117.008 0.404 . . . . 99.989999999999995 111.252 -179.846 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' W' W ' 545' ' ' THR . . . . . 0.403 ' CG2' HG23 ' W' ' 539' ' ' VAL . 0.4 OUTLIER -82.46 146.31 29.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.959 -0.564 . . . . 99.989999999999995 110.491 179.365 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' W' W ' 546' ' ' PHE . . . . . 0.48 ' CE1' ' O ' ' W' ' 538' ' ' GLN . 8.0 p90 -121.03 -177.74 3.57 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.026 0.441 . . . . 99.989999999999995 111.112 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' W' W ' 547' ' ' PHE . . . . . 0.464 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.8 OUTLIER -125.43 124.93 42.51 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 115.866 -0.606 . . . . 99.989999999999995 110.697 179.885 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' W' W ' 548' ' ' ILE . . . . . 0.533 ' CG2' ' CD2' ' P' ' 232' ' ' TYR . 2.6 mp -86.28 149.53 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-N 115.173 -0.921 . . . . 99.989999999999995 110.474 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -127.51 118.72 24.53 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.486 -0.779 . . . . 99.989999999999995 110.98 -179.544 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' W' W ' 550' ' ' HIS . . . . . 0.432 ' CD2' ' N ' ' W' ' 550' ' ' HIS . 6.5 m170 -82.99 -29.62 28.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 99.989999999999995 110.99 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -48.8 -41.02 31.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.315 -0.402 . . . . 99.989999999999995 110.93 179.814 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.47 2.92 7.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.929 -0.578 . . . . 99.989999999999995 111.398 179.633 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 59.63 68.59 0.78 Allowed 'General case' 0 N--CA 1.456 -0.138 0 CA-C-O 120.741 0.305 . . . . 99.989999999999995 110.985 -179.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -154.03 -168.88 3.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.882 0.372 . . . . 99.989999999999995 111.306 -179.837 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 70.9 p -143.17 169.27 17.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.013 -0.539 . . . . 99.989999999999995 111.101 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' W' W ' 556' ' ' THR . . . . . 0.427 ' CA ' HD12 ' P' ' 229' ' ' LEU . 1.3 t -164.05 165.11 22.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.031 0.443 . . . . 99.989999999999995 111.397 179.846 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' W' W ' 557' ' ' TRP . . . . . 0.487 ' CE2' ' HB2' ' P' ' 229' ' ' LEU . 14.4 m95 -87.93 14.7 8.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.83 -0.623 . . . . 99.989999999999995 111.658 179.931 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' W' W ' 558' ' ' ILE . . . . . 0.431 ' CG2' ' HA2' ' W' ' 563' ' ' GLY . 5.3 mm -126.56 149.54 31.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.034 0.445 . . . . 99.989999999999995 112.077 -178.544 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' W' W ' 559' ' ' ASP . . . . . 0.425 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 2.1 m-20 -103.89 114.94 64.14 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.825 -0.625 . . . . 99.989999999999995 110.966 -179.725 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' W' W ' 560' ' ' PRO . . . . . 0.514 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 6.1 Cg_endo -52.06 -26.43 25.66 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.199 1.932 . . . . 99.989999999999995 111.902 179.859 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' W' W ' 561' ' ' ARG . . . . . 0.412 ' CZ ' ' O ' ' W' ' 529' ' ' GLU . 0.6 OUTLIER -63.98 -30.69 71.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 99.989999999999995 110.739 179.861 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -127.06 -68.57 0.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 99.989999999999995 110.832 179.771 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' W' W ' 563' ' ' GLY . . . . . 0.431 ' HA2' ' CG2' ' W' ' 558' ' ' ILE . . . 120.19 36.74 0.79 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 99.989999999999995 112.488 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -135.26 172.51 12.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.963 0.411 . . . . 99.989999999999995 111.088 -179.897 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' W' W ' 565' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' W' ' 557' ' ' TRP . . . -63.61 126.67 28.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 99.989999999999995 111.406 -179.777 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 99.989999999999995 110.851 179.903 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.8 0.333 . . . . 99.989999999999995 111.074 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . 136.43 -143.72 15.22 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.701 -0.761 . . . . 99.989999999999995 112.678 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' P' P ' 229' ' ' LEU . . . . . 0.487 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 9.4 tp 67.29 66.61 0.63 Allowed Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 120.633 0.254 . . . . 99.989999999999995 111.043 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' P' P ' 230' ' ' PRO . . . . . 0.426 ' HB2' ' CB ' ' P' ' 235' ' ' ALA . 52.3 Cg_exo -51.99 125.81 18.32 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.352 2.035 . . . . 99.989999999999995 111.636 179.583 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.6 149.2 35.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.096 0.474 . . . . 99.989999999999995 111.158 -179.609 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' P' P ' 232' ' ' TYR . . . . . 0.533 ' CD2' ' CG2' ' W' ' 548' ' ' ILE . 1.1 t80 -69.79 77.28 0.46 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.662 -0.699 . . . . 99.989999999999995 110.881 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -175.69 -38.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.086 -0.506 . . . . 99.989999999999995 110.944 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -117.54 23.15 11.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.402 -0.363 . . . . 99.989999999999995 111.07 -179.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' P' P ' 235' ' ' ALA . . . . . 0.426 ' CB ' ' HB2' ' P' ' 230' ' ' PRO . . . -144.84 51.95 1.23 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.913 0.387 . . . . 99.989999999999995 111.117 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' P' P ' 236' ' ' LEU . . . . . 0.413 HD12 ' CE1' ' P' ' 232' ' ' TYR . 0.5 OUTLIER -157.24 105.11 2.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 99.989999999999995 110.804 179.949 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 15.4 m170 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 99.989999999999995 110.948 -179.992 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' W' W ' 521' ' ' GLY . . . . . 0.775 ' CA ' ' H3 ' ' W' ' 521' ' ' GLY . . . . . . . . 0 N--CA 1.449 -0.473 0 N-CA-C 110.114 -1.194 . . . . 99.989999999999995 110.114 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' W' W ' 522' ' ' PRO . . . . . 0.609 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 55.8 Cg_endo -70.4 102.02 1.08 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.602 2.201 . . . . 99.989999999999995 112.282 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 53.35 54.16 10.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 99.989999999999995 110.847 -179.916 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . 154.74 138.28 2.57 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.75 -0.738 . . . . 99.989999999999995 112.565 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 4.2 m -127.68 46.38 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.779 0.323 . . . . 99.989999999999995 111.0 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -149.44 -162.53 10.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.623 -0.799 . . . . 99.989999999999995 112.507 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.38 -45.8 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 99.989999999999995 110.883 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -129.78 79.88 1.93 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 99.989999999999995 110.837 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' W' W ' 529' ' ' GLU . . . . . 0.402 ' O ' ' NE ' ' W' ' 561' ' ' ARG . 42.4 tp10 -67.52 124.33 88.92 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.335 -0.393 . . . . 99.989999999999995 110.689 179.898 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.17 67.38 2.6 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.519 2.146 . . . . 99.989999999999995 112.493 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' W' W ' 531' ' ' LEU . . . . . 0.478 HD22 ' CZ ' ' W' ' 547' ' ' PHE . 3.0 mt 62.14 125.95 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.452 -0.34 . . . . 99.989999999999995 110.565 179.867 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' W' W ' 532' ' ' PRO . . . . . 0.471 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 72.0 Cg_exo -50.18 -174.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.574 2.183 . . . . 99.989999999999995 113.296 -179.39 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' W' W ' 533' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 29.4 Cg_exo -64.91 -18.1 61.32 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.359 2.706 . . . . 99.989999999999995 115.131 -178.211 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' W' W ' 534' ' ' ARG . . . . . 0.434 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 82.6 mmt-85 -139.21 46.82 1.92 Allowed 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 120.43 -0.508 . . . . 99.989999999999995 112.018 -178.391 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' W' W ' 535' ' ' TRP . . . . . 0.508 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 45.0 m95 -142.88 168.54 19.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.171 0.51 . . . . 99.989999999999995 112.141 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' W' W ' 536' ' ' SER . . . . . 0.402 ' HA ' ' CD1' ' W' ' 531' ' ' LEU . 0.3 OUTLIER -147.52 -163.01 1.66 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.454 -0.793 . . . . 99.989999999999995 110.548 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' W' W ' 537' ' ' MET . . . . . 0.437 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 26.9 mtm -137.84 145.23 42.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.213 -0.449 . . . . 99.989999999999995 111.079 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' W' W ' 538' ' ' GLN . . . . . 0.44 ' O ' ' CD1' ' W' ' 546' ' ' PHE . 6.4 tp60 -165.33 128.39 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.044 -0.526 . . . . 99.989999999999995 110.747 179.799 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 42.6 t -80.54 125.03 39.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.431 . . . . 99.989999999999995 110.845 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' W' W ' 540' ' ' ALA . . . . . 0.465 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -92.44 141.53 24.9 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.099 -0.501 . . . . 99.989999999999995 111.15 -179.714 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.73 -22.58 45.26 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.552 2.168 . . . . 99.989999999999995 111.702 179.678 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' W' W ' 542' ' ' ASN . . . . . 0.435 ' ND2' ' NE ' ' W' ' 544' ' ' ARG . 49.8 t30 -51.79 -42.95 62.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.855 -0.611 . . . . 99.989999999999995 110.617 179.628 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 141.48 -13.39 2.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.593 -0.813 . . . . 99.989999999999995 113.059 179.744 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' W' W ' 544' ' ' ARG . . . . . 0.487 ' HG2' ' CE3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.15 149.97 52.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.942 0.401 . . . . 99.989999999999995 111.506 -179.87 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.73 146.31 46.52 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.9 -0.591 . . . . 99.989999999999995 110.55 179.478 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' W' W ' 546' ' ' PHE . . . . . 0.482 ' HB3' ' CZ3' ' W' ' 557' ' ' TRP . 11.7 p90 -121.96 151.29 40.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.295 -0.411 . . . . 99.989999999999995 110.905 179.848 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' W' W ' 547' ' ' PHE . . . . . 0.488 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.7 OUTLIER -99.78 125.33 45.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.278 0.561 . . . . 99.989999999999995 111.489 -179.571 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' W' W ' 548' ' ' ILE . . . . . 0.514 ' CG2' ' CD2' ' P' ' 232' ' ' TYR . 2.8 mp -84.55 145.3 8.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.31 -0.859 . . . . 99.989999999999995 110.663 179.614 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' W' W ' 549' ' ' ASP . . . . . 0.491 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 28.0 t70 -122.95 115.36 21.8 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.598 -0.728 . . . . 99.989999999999995 111.072 -179.602 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' W' W ' 550' ' ' HIS . . . . . 0.418 ' CD2' ' N ' ' W' ' 550' ' ' HIS . 6.4 m170 -82.66 -27.69 31.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.274 -0.421 . . . . 99.989999999999995 110.736 179.776 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -52.43 -37.24 56.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 99.989999999999995 110.564 179.729 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.03 0.45 6.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.961 -0.563 . . . . 99.989999999999995 111.449 179.722 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' W' W ' 553' ' ' ARG . . . . . 0.439 ' HA ' ' CD2' ' P' ' 232' ' ' TYR . 3.1 mmt85 61.94 65.16 0.93 Allowed 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.631 0.253 . . . . 99.989999999999995 111.079 179.868 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -153.87 -166.98 2.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.817 0.342 . . . . 99.989999999999995 111.352 -179.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' W' W ' 555' ' ' THR . . . . . 0.428 HG23 ' N ' ' P' ' 232' ' ' TYR . 77.3 p -142.84 177.31 8.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.326 -0.397 . . . . 99.989999999999995 111.24 -179.756 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -170.22 164.52 9.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 99.989999999999995 111.377 179.889 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' W' W ' 557' ' ' TRP . . . . . 0.488 ' CE2' ' HB2' ' P' ' 229' ' ' LEU . 22.0 m95 -89.62 18.75 5.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.904 -0.589 . . . . 99.989999999999995 111.464 179.803 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.7 mm -132.79 152.12 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.12 0.486 . . . . 99.989999999999995 112.104 -179.002 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' W' W ' 559' ' ' ASP . . . . . 0.471 ' OD2' ' CE1' ' W' ' 547' ' ' PHE . 0.5 OUTLIER -100.68 110.3 60.14 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.746 -0.661 . . . . 99.989999999999995 110.468 179.845 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' W' W ' 560' ' ' PRO . . . . . 0.508 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 2.4 Cg_endo -51.63 -29.86 34.37 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.089 1.859 . . . . 99.989999999999995 112.418 -179.415 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' W' W ' 561' ' ' ARG . . . . . 0.402 ' NE ' ' O ' ' W' ' 529' ' ' GLU . 0.4 OUTLIER -68.12 -18.89 64.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.373 -0.376 . . . . 99.989999999999995 111.109 179.813 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -130.34 -66.13 0.78 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.843 0.354 . . . . 99.989999999999995 110.811 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' W' W ' 563' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' W' ' 559' ' ' ASP . . . 114.26 34.5 1.61 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.898 -0.668 . . . . 99.989999999999995 112.375 -179.84 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.84 166.38 22.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.958 0.409 . . . . 99.989999999999995 111.07 -179.784 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -53.58 105.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.991 -0.55 . . . . 99.989999999999995 110.959 179.861 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 41.7 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 99.989999999999995 110.897 -179.936 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.859 0.362 . . . . 99.989999999999995 111.169 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . 95.98 28.7 9.11 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.794 -0.717 . . . . 99.989999999999995 112.695 179.847 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' P' P ' 229' ' ' LEU . . . . . 0.488 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 1.8 tp -90.81 108.85 30.63 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.461 0.172 . . . . 99.989999999999995 110.679 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -68.59 102.67 0.87 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.587 2.191 . . . . 99.989999999999995 111.972 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 14.8 m -53.15 161.38 0.87 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.081 -0.509 . . . . 99.989999999999995 110.861 -179.851 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' P' P ' 232' ' ' TYR . . . . . 0.514 ' CD2' ' CG2' ' W' ' 548' ' ' ILE . 1.1 t80 -78.77 78.86 5.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.879 -0.6 . . . . 99.989999999999995 110.823 -179.936 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 15.6 t0 176.97 -37.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.543 -0.753 . . . . 99.989999999999995 110.082 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -109.34 20.62 18.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.888 -0.596 . . . . 99.989999999999995 110.989 179.567 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -141.98 33.62 1.56 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.358 -0.383 . . . . 99.989999999999995 111.077 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.25 64.14 1.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 99.989999999999995 110.748 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 99.989999999999995 110.866 -179.877 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' W' W ' 521' ' ' GLY . . . . . 0.773 ' H2 ' ' CA ' ' W' ' 521' ' ' GLY . . . . . . . . 0 N--CA 1.449 -0.47 0 N-CA-C 110.082 -1.207 . . . . 99.989999999999995 110.082 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' W' W ' 522' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' W' ' 521' ' ' GLY . 45.7 Cg_exo -56.01 -172.58 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.676 2.251 . . . . 99.989999999999995 112.213 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -24.67 67.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 99.989999999999995 110.894 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . 72.07 147.79 0.69 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.712 -0.756 . . . . 99.989999999999995 112.582 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.29 -170.97 3.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.774 0.321 . . . . 99.989999999999995 110.891 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -93.18 177.02 37.78 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 99.989999999999995 112.572 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.06 38.89 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.359 . . . . 99.989999999999995 110.916 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.41 159.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 99.989999999999995 110.929 179.897 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' W' W ' 529' ' ' GLU . . . . . 0.425 ' HB3' ' NE ' ' W' ' 561' ' ' ARG . 5.8 tt0 -104.01 129.59 24.94 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 99.989999999999995 110.793 179.859 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.05 121.63 10.25 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.527 2.151 . . . . 99.989999999999995 112.52 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' W' W ' 531' ' ' LEU . . . . . 0.483 HD22 ' CE2' ' W' ' 547' ' ' PHE . 0.3 OUTLIER -59.76 142.84 87.81 Favored Pre-proline 0 C--N 1.33 -0.241 0 N-CA-C 109.842 -0.429 . . . . 99.989999999999995 109.842 179.303 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' W' W ' 532' ' ' PRO . . . . . 0.48 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 75.8 Cg_exo -49.85 -173.25 0.0 OUTLIER 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.558 2.172 . . . . 99.989999999999995 113.286 -179.155 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' W' W ' 533' ' ' PRO . . . . . 0.48 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 27.0 Cg_exo -64.29 -18.88 64.83 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.172 2.581 . . . . 99.989999999999995 115.251 -178.029 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' W' W ' 534' ' ' ARG . . . . . 0.433 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 26.0 mmt180 -140.29 51.44 1.68 Allowed 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 120.401 -0.52 . . . . 99.989999999999995 111.534 -178.75 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' W' W ' 535' ' ' TRP . . . . . 0.491 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 54.6 m95 -145.37 168.52 20.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.42 0.628 . . . . 99.989999999999995 112.49 -179.873 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' W' W ' 536' ' ' SER . . . . . . . . . . . . . 2.0 m -153.24 -171.81 4.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.013 -0.994 . . . . 99.989999999999995 109.795 179.746 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' W' W ' 537' ' ' MET . . . . . 0.433 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 0.0 OUTLIER -150.09 141.48 23.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.097 0.475 . . . . 99.989999999999995 111.617 -179.935 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' W' W ' 538' ' ' GLN . . . . . 0.471 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 0.3 OUTLIER -168.08 141.45 3.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.699 -0.682 . . . . 99.989999999999995 110.34 179.816 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 20.7 t -72.37 131.45 34.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.369 . . . . 99.989999999999995 111.125 -179.738 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' W' W ' 540' ' ' ALA . . . . . . . . . . . . . . . -90.74 166.52 18.92 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 99.989999999999995 111.137 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.03 -23.17 25.35 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.5 2.133 . . . . 99.989999999999995 112.047 179.837 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' W' W ' 542' ' ' ASN . . . . . 0.41 ' ND2' ' HD3' ' W' ' 544' ' ' ARG . 25.9 t30 -55.4 -41.23 72.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.027 -0.533 . . . . 99.989999999999995 110.863 179.899 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 138.51 -14.19 3.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.533 -0.842 . . . . 99.989999999999995 112.993 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' W' W ' 544' ' ' ARG . . . . . 0.534 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -126.38 157.97 37.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.965 0.412 . . . . 99.989999999999995 111.384 -179.87 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.51 146.87 31.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.795 -0.639 . . . . 99.989999999999995 111.309 -179.828 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' W' W ' 546' ' ' PHE . . . . . 0.471 ' CE1' ' O ' ' W' ' 538' ' ' GLN . 11.0 p90 -124.35 -174.58 3.04 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.067 -0.515 . . . . 99.989999999999995 111.232 -179.865 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' W' W ' 547' ' ' PHE . . . . . 0.489 ' CE2' ' HD2' ' W' ' 560' ' ' PRO . 1.1 m-85 -123.67 119.43 29.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.957 -0.565 . . . . 99.989999999999995 109.9 179.353 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' W' W ' 548' ' ' ILE . . . . . 0.438 ' CG2' ' CD2' ' P' ' 232' ' ' TYR . 2.4 mp -80.62 125.97 39.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.214 0.53 . . . . 99.989999999999995 111.302 -179.169 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' W' W ' 549' ' ' ASP . . . . . 0.471 ' OD2' ' CH2' ' W' ' 535' ' ' TRP . 0.2 OUTLIER -93.24 125.52 37.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.451 -0.795 . . . . 99.989999999999995 110.334 179.77 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' W' W ' 550' ' ' HIS . . . . . 0.467 ' CE1' ' OH ' ' P' ' 232' ' ' TYR . 21.2 m-70 -95.69 -34.79 11.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 99.989999999999995 111.292 -179.587 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -50.07 -39.34 41.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.345 -0.389 . . . . 99.989999999999995 111.181 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.99 3.23 7.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 99.989999999999995 111.744 179.896 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 34.1 mtt180 61.13 72.51 0.52 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.914 0.388 . . . . 99.989999999999995 110.871 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 45.7 mtt-85 -149.34 -164.07 1.94 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.102 -0.499 . . . . 99.989999999999995 110.968 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 46.5 p -150.9 140.23 21.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 99.989999999999995 111.456 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' W' W ' 556' ' ' THR . . . . . 0.413 ' HA ' ' CD1' ' P' ' 229' ' ' LEU . 15.4 t -133.6 162.79 30.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.995 -0.548 . . . . 99.989999999999995 110.983 179.488 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' W' W ' 557' ' ' TRP . . . . . 0.534 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 13.0 m95 -85.51 -39.85 17.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.827 -0.624 . . . . 99.989999999999995 111.871 -179.256 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' W' W ' 558' ' ' ILE . . . . . 0.451 HD13 HG21 ' W' ' 558' ' ' ILE . 4.2 mm -86.75 124.81 40.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.967 -0.561 . . . . 99.989999999999995 111.558 -178.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' W' W ' 559' ' ' ASP . . . . . 0.429 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 0.7 OUTLIER -68.02 144.63 97.22 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.872 -0.604 . . . . 99.989999999999995 111.171 -179.663 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' W' W ' 560' ' ' PRO . . . . . 0.491 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 36.8 Cg_endo -85.08 -22.71 2.68 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.67 2.247 . . . . 99.989999999999995 112.403 179.777 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' W' W ' 561' ' ' ARG . . . . . 0.425 ' NE ' ' HB3' ' W' ' 529' ' ' GLU . 0.5 OUTLIER -54.39 -28.84 46.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 99.989999999999995 110.963 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -144.78 -43.54 0.24 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.073 -0.512 . . . . 99.989999999999995 110.849 -179.871 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 114.17 35.3 1.5 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.708 -0.758 . . . . 99.989999999999995 112.512 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -124.22 144.78 49.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.788 0.328 . . . . 99.989999999999995 110.856 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -59.22 118.27 5.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 99.989999999999995 111.273 -179.872 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 99.989999999999995 110.903 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 4.7 t . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.781 0.324 . . . . 99.989999999999995 111.18 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . -149.48 -85.27 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.665 -0.778 . . . . 99.989999999999995 112.605 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' P' P ' 229' ' ' LEU . . . . . 0.5 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 0.2 OUTLIER 53.84 96.69 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 120.612 0.244 . . . . 99.989999999999995 110.739 -179.862 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.07 -146.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.492 2.128 . . . . 99.989999999999995 111.391 179.437 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 4.9 t -157.99 51.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 99.989999999999995 110.861 179.71 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' P' P ' 232' ' ' TYR . . . . . 0.479 ' CE1' HD13 ' P' ' 236' ' ' LEU . 0.3 OUTLIER 55.51 62.02 2.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.159 -0.473 . . . . 99.989999999999995 110.596 179.913 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.42 -42.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.122 -0.49 . . . . 99.989999999999995 110.885 -179.928 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -104.22 52.98 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 99.989999999999995 110.955 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -170.96 -50.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 99.989999999999995 111.119 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' P' P ' 236' ' ' LEU . . . . . 0.479 HD13 ' CE1' ' P' ' 232' ' ' TYR . 0.1 OUTLIER -65.92 97.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 99.989999999999995 110.853 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 99.989999999999995 110.911 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' W' W ' 521' ' ' GLY . . . . . 0.777 ' H1 ' ' CA ' ' W' ' 521' ' ' GLY . . . . . . . . 0 N--CA 1.449 -0.476 0 N-CA-C 110.086 -1.205 . . . . 99.989999999999995 110.086 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' W' W ' 522' ' ' PRO . . . . . 0.661 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 28.3 Cg_endo -62.73 -20.11 70.14 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.65 2.233 . . . . 99.989999999999995 112.332 179.907 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 2.9 mt -95.15 29.12 2.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.905 0.383 . . . . 99.989999999999995 110.956 -179.849 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . 66.54 73.91 0.59 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.767 -0.73 . . . . 99.989999999999995 112.44 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 8.5 t -111.44 -173.9 2.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.89 0.376 . . . . 99.989999999999995 110.809 -179.896 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -129.52 -93.79 0.71 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.758 . . . . 99.989999999999995 112.495 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -131.64 84.83 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.357 . . . . 99.989999999999995 110.816 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -164.6 101.69 0.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 99.989999999999995 110.978 -179.912 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' W' W ' 529' ' ' GLU . . . . . 0.429 ' O ' ' CZ ' ' W' ' 561' ' ' ARG . 0.9 OUTLIER -55.16 113.17 5.03 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 99.989999999999995 110.859 179.86 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -50.01 127.09 18.48 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.486 2.124 . . . . 99.989999999999995 112.89 -179.757 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' W' W ' 531' ' ' LEU . . . . . 0.412 HD21 ' CZ ' ' W' ' 547' ' ' PHE . 0.6 OUTLIER -49.83 137.28 19.11 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.04 -0.527 . . . . 99.989999999999995 110.456 179.493 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' W' W ' 532' ' ' PRO . . . . . 0.436 ' HG2' ' HG2' ' W' ' 560' ' ' PRO . 80.2 Cg_exo -48.17 179.39 0.01 OUTLIER 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.65 2.233 . . . . 99.989999999999995 113.031 -179.41 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' W' W ' 533' ' ' PRO . . . . . 0.432 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 59.4 Cg_exo -43.09 -52.43 4.82 Favored 'Trans proline' 0 CA--C 1.515 -0.43 0 C-N-CA 123.515 2.81 . . . . 99.989999999999995 115.177 -178.665 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' W' W ' 534' ' ' ARG . . . . . 0.473 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 21.0 mmt85 -120.77 68.63 0.87 Allowed 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.916 -0.584 . . . . 99.989999999999995 111.73 -178.179 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' W' W ' 535' ' ' TRP . . . . . 0.549 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 79.6 m95 -153.47 156.09 37.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.168 0.508 . . . . 99.989999999999995 112.26 179.76 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' W' W ' 536' ' ' SER . . . . . . . . . . . . . 1.5 m -143.82 -172.05 3.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.365 -0.834 . . . . 99.989999999999995 110.206 179.678 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' W' W ' 537' ' ' MET . . . . . 0.407 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 0.1 OUTLIER -145.7 128.53 16.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.979 0.419 . . . . 99.989999999999995 111.338 -179.942 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' W' W ' 538' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -145.58 144.93 30.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.878 -0.601 . . . . 99.989999999999995 110.605 179.677 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' W' W ' 539' ' ' VAL . . . . . 0.477 ' CG2' ' CG2' ' W' ' 545' ' ' THR . 9.5 t -84.2 129.11 38.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.343 -0.389 . . . . 99.989999999999995 111.046 -179.818 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' W' W ' 540' ' ' ALA . . . . . 0.428 ' CB ' ' HD2' ' W' ' 541' ' ' PRO . . . -94.98 169.66 9.11 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 99.989999999999995 110.903 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' W' W ' 541' ' ' PRO . . . . . 0.428 ' HD2' ' CB ' ' W' ' 540' ' ' ALA . 55.6 Cg_endo -69.82 -23.78 30.12 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.475 2.117 . . . . 99.989999999999995 112.055 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -53.4 -33.01 52.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.993 -0.549 . . . . 99.989999999999995 110.835 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 123.98 -8.61 8.6 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.649 -0.786 . . . . 99.989999999999995 113.093 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' W' W ' 544' ' ' ARG . . . . . 0.529 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -128.49 156.67 42.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 117.023 0.411 . . . . 99.989999999999995 111.415 -179.874 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' W' W ' 545' ' ' THR . . . . . 0.477 ' CG2' ' CG2' ' W' ' 539' ' ' VAL . 0.6 OUTLIER -85.1 146.91 26.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.977 -0.556 . . . . 99.989999999999995 111.222 -179.917 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' W' W ' 546' ' ' PHE . . . . . 0.412 ' HB3' ' CZ3' ' W' ' 557' ' ' TRP . 3.4 p90 -120.95 -174.85 2.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.105 -0.498 . . . . 99.989999999999995 110.854 179.837 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' W' W ' 547' ' ' PHE . . . . . 0.488 ' CD2' ' CD ' ' W' ' 560' ' ' PRO . 1.0 OUTLIER -123.11 118.34 27.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.003 0.43 . . . . 99.989999999999995 110.353 179.731 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' W' W ' 548' ' ' ILE . . . . . 0.531 ' CG2' ' CD2' ' P' ' 232' ' ' TYR . 2.7 mp -79.52 137.48 21.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.637 -0.71 . . . . 99.989999999999995 110.795 -179.732 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' W' W ' 549' ' ' ASP . . . . . 0.487 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 55.2 t0 -110.17 105.97 15.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.112 -0.494 . . . . 99.989999999999995 111.047 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' W' W ' 550' ' ' HIS . . . . . 0.401 ' HB2' ' HB3' ' W' ' 534' ' ' ARG . 19.4 m-70 -76.41 -21.72 55.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 99.989999999999995 111.114 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -59.43 -46.02 89.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.89 0.376 . . . . 99.989999999999995 111.059 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.6 19.24 6.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.027 -0.533 . . . . 99.989999999999995 111.221 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 49.47 64.28 1.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 99.989999999999995 111.06 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -135.65 -167.5 2.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 99.989999999999995 110.669 179.729 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 63.7 p -151.74 155.06 37.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.435 -0.348 . . . . 99.989999999999995 111.248 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 10.6 t -148.91 159.16 44.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.013 0.435 . . . . 99.989999999999995 111.184 -179.917 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' W' W ' 557' ' ' TRP . . . . . 0.529 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 22.9 m95 -87.45 -22.06 25.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.965 -0.561 . . . . 99.989999999999995 111.214 -179.929 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' W' W ' 558' ' ' ILE . . . . . 0.422 HG21 ' N ' ' W' ' 565' ' ' ALA . 31.5 mt -107.22 125.57 63.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.135 0.493 . . . . 99.989999999999995 111.919 -178.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' W' W ' 559' ' ' ASP . . . . . 0.472 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 4.7 p30 -57.3 138.45 80.7 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 115.671 -0.695 . . . . 99.989999999999995 111.053 -179.848 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' W' W ' 560' ' ' PRO . . . . . 0.549 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 81.3 Cg_endo -90.98 19.65 1.09 Allowed 'Trans proline' 0 N--CA 1.455 -0.755 0 C-N-CA 123.012 2.475 . . . . 99.989999999999995 111.903 179.321 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' W' W ' 561' ' ' ARG . . . . . 0.429 ' CZ ' ' O ' ' W' ' 529' ' ' GLU . 0.0 OUTLIER -107.07 7.71 29.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.98 -0.555 . . . . 99.989999999999995 111.441 -179.604 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -175.41 -49.53 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.719 0.295 . . . . 99.989999999999995 110.718 179.774 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 106.78 65.17 0.62 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 99.989999999999995 112.618 179.859 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -161.34 73.73 0.45 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.59 0.233 . . . . 99.989999999999995 110.636 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' W' W ' 565' ' ' ALA . . . . . 0.422 ' N ' HG21 ' W' ' 558' ' ' ILE . . . 46.85 -155.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.6 -0.273 . . . . 99.989999999999995 110.766 -179.821 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 96.7 p . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 120.423 0.154 . . . . 99.989999999999995 110.916 179.877 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.808 0.337 . . . . 99.989999999999995 111.041 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . 150.9 -148.13 18.93 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.729 -0.748 . . . . 99.989999999999995 112.483 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' P' P ' 229' ' ' LEU . . . . . 0.482 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 4.4 tp 68.32 70.61 0.42 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.695 0.283 . . . . 99.989999999999995 110.921 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' P' P ' 230' ' ' PRO . . . . . 0.425 ' CD ' ' HB2' ' W' ' 540' ' ' ALA . 53.2 Cg_exo -54.94 104.93 0.13 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.543 2.162 . . . . 99.989999999999995 112.074 179.88 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 32.8 m -48.51 166.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 99.989999999999995 111.084 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' P' P ' 232' ' ' TYR . . . . . 0.531 ' CD2' ' CG2' ' W' ' 548' ' ' ILE . 1.3 t80 -61.11 89.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 99.989999999999995 110.931 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -178.05 -39.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 99.989999999999995 110.678 179.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -97.19 -34.93 10.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 99.989999999999995 110.865 179.838 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -80.75 59.37 3.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 99.989999999999995 110.99 179.92 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 4.0 mp -129.1 -52.41 1.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 99.989999999999995 110.795 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 11.5 p80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 99.989999999999995 110.859 179.905 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' W' W ' 521' ' ' GLY . . . . . 1.396 ' N ' ' H3 ' ' W' ' 521' ' ' GLY . . . . . . . . 0 N--CA 1.449 -0.479 0 N-CA-C 110.106 -1.198 . . . . 99.989999999999995 110.106 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' W' W ' 522' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' W' ' 521' ' ' GLY . 52.2 Cg_exo -53.23 -47.95 24.72 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.607 2.204 . . . . 99.989999999999995 112.34 -179.886 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 2.4 tt -163.5 120.57 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 99.989999999999995 110.917 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . 169.96 -63.31 0.18 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.609 -0.805 . . . . 99.989999999999995 112.537 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.92 -49.23 5.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 99.989999999999995 110.884 -179.934 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . 96.89 -92.7 1.38 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.702 -0.761 . . . . 99.989999999999995 112.405 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.72 34.26 3.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.775 0.321 . . . . 99.989999999999995 110.83 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -125.26 81.11 1.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 99.989999999999995 110.95 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' W' W ' 529' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -67.19 145.45 98.69 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 99.989999999999995 110.867 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -59.92 139.96 90.6 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.514 2.143 . . . . 99.989999999999995 112.45 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' W' W ' 531' ' ' LEU . . . . . 0.435 ' CD1' ' HA ' ' W' ' 536' ' ' SER . 1.3 mt -79.41 135.89 56.85 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 99.989999999999995 109.676 179.156 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' W' W ' 532' ' ' PRO . . . . . 0.462 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 56.4 Cg_exo -50.85 -174.81 0.01 OUTLIER 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 122.267 1.978 . . . . 99.989999999999995 113.244 -178.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' W' W ' 533' ' ' PRO . . . . . 0.462 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 19.8 Cg_exo -69.73 -10.18 27.95 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.407 2.738 . . . . 99.989999999999995 115.168 -177.922 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' W' W ' 534' ' ' ARG . . . . . 0.437 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 22.8 mmt85 -143.57 43.07 1.5 Allowed 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 120.359 -0.536 . . . . 99.989999999999995 111.66 -178.883 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' W' W ' 535' ' ' TRP . . . . . 0.499 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 38.3 m95 -141.55 168.01 20.79 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.41 0.624 . . . . 99.989999999999995 112.466 -179.934 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' W' W ' 536' ' ' SER . . . . . 0.435 ' HA ' ' CD1' ' W' ' 531' ' ' LEU . 0.1 OUTLIER -147.39 -158.14 0.88 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.147 -0.933 . . . . 99.989999999999995 110.429 -179.835 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' W' W ' 537' ' ' MET . . . . . . . . . . . . . 26.8 mtp -144.4 144.69 31.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.389 -0.368 . . . . 99.989999999999995 110.755 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' W' W ' 538' ' ' GLN . . . . . 0.471 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 2.2 tp-100 -168.2 129.73 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 99.989999999999995 110.979 -179.888 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 4.7 t -79.48 136.51 23.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 99.989999999999995 110.802 179.728 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' W' W ' 540' ' ' ALA . . . . . 0.469 ' HB3' ' CE1' ' W' ' 546' ' ' PHE . . . -107.6 156.75 37.35 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.113 -0.494 . . . . 99.989999999999995 111.33 -179.696 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -62.85 -24.45 74.36 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.613 2.208 . . . . 99.989999999999995 111.402 179.385 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -47.82 -42.02 25.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.765 -0.652 . . . . 99.989999999999995 110.759 179.728 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 134.47 -12.06 4.62 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.67 -0.776 . . . . 99.989999999999995 112.668 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' W' W ' 544' ' ' ARG . . . . . 0.486 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.24 155.81 46.47 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.91 0.386 . . . . 99.989999999999995 111.108 -179.935 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -80.47 145.33 31.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.979 -0.555 . . . . 99.989999999999995 110.05 179.276 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' W' W ' 546' ' ' PHE . . . . . 0.471 ' CE1' ' O ' ' W' ' 538' ' ' GLN . 7.4 p90 -117.22 -179.56 3.75 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.014 0.435 . . . . 99.989999999999995 111.201 -179.666 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' W' W ' 547' ' ' PHE . . . . . 0.499 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.6 OUTLIER -123.89 126.47 46.43 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 115.862 -0.608 . . . . 99.989999999999995 111.169 -179.784 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' W' W ' 548' ' ' ILE . . . . . 0.513 ' CG2' ' CD2' ' P' ' 232' ' ' TYR . 2.7 mp -86.71 149.25 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 CA-C-N 115.21 -0.905 . . . . 99.989999999999995 110.359 179.663 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -128.64 117.41 21.16 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.629 -0.714 . . . . 99.989999999999995 111.013 -179.496 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' W' W ' 550' ' ' HIS . . . . . 0.405 ' CD2' ' N ' ' W' ' 550' ' ' HIS . 7.5 m170 -81.91 -26.07 34.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 99.989999999999995 110.788 179.864 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -50.05 -43.12 50.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.227 -0.442 . . . . 99.989999999999995 110.734 179.583 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.72 1.19 8.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.917 -0.583 . . . . 99.989999999999995 111.306 179.583 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' W' W ' 553' ' ' ARG . . . . . 0.448 ' HA ' ' CD2' ' P' ' 232' ' ' TYR . 59.7 mmt-85 63.11 62.77 0.98 Allowed 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.733 0.301 . . . . 99.989999999999995 110.977 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' W' W ' 554' ' ' ARG . . . . . 0.42 ' CZ ' ' HB3' ' W' ' 554' ' ' ARG . 5.4 mtp-105 -149.24 -166.53 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 99.989999999999995 110.967 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' W' W ' 555' ' ' THR . . . . . 0.415 HG21 ' N ' ' P' ' 232' ' ' TYR . 60.3 p -143.92 179.67 7.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 99.989999999999995 111.098 179.791 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' W' W ' 556' ' ' THR . . . . . 0.404 ' CA ' HD12 ' P' ' 229' ' ' LEU . 0.0 OUTLIER -171.15 166.04 7.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.008 -0.542 . . . . 99.989999999999995 111.117 179.861 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' W' W ' 557' ' ' TRP . . . . . 0.486 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 19.1 m95 -89.6 15.37 9.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.958 -0.565 . . . . 99.989999999999995 111.452 179.832 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' W' W ' 558' ' ' ILE . . . . . 0.429 HG22 ' N ' ' W' ' 564' ' ' ARG . 5.5 mm -129.05 149.07 33.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.099 0.476 . . . . 99.989999999999995 111.754 -179.022 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' W' W ' 559' ' ' ASP . . . . . 0.428 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 2.2 m-20 -102.94 110.81 64.28 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.632 -0.713 . . . . 99.989999999999995 111.104 -179.688 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' W' W ' 560' ' ' PRO . . . . . 0.499 ' HD2' ' CD2' ' W' ' 547' ' ' PHE . 1.9 Cg_endo -47.5 -37.33 25.9 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 121.999 1.8 . . . . 99.989999999999995 111.184 179.43 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.39 -29.83 6.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.587 -0.733 . . . . 99.989999999999995 110.833 179.539 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -129.73 -60.14 1.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.363 -0.38 . . . . 99.989999999999995 110.934 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' W' W ' 563' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' W' ' 559' ' ' ASP . . . 112.3 36.2 1.66 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.903 -0.665 . . . . 99.989999999999995 112.347 -179.865 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' W' W ' 564' ' ' ARG . . . . . 0.429 ' N ' HG22 ' W' ' 558' ' ' ILE . 5.2 mtp85 -137.19 172.79 12.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 99.989999999999995 110.996 -179.794 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -66.66 120.03 12.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 99.989999999999995 111.501 -179.686 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.514 . . . . 99.989999999999995 110.734 179.762 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 55.2 p . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.643 0.258 . . . . 99.989999999999995 111.165 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . -139.07 50.58 0.79 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.646 -0.788 . . . . 99.989999999999995 112.483 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' P' P ' 229' ' ' LEU . . . . . 0.476 ' HB2' ' CZ2' ' W' ' 557' ' ' TRP . 0.8 OUTLIER -112.01 92.14 17.39 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.716 0.293 . . . . 99.989999999999995 111.175 -179.908 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' P' P ' 230' ' ' PRO . . . . . 0.43 ' HB2' ' CB ' ' P' ' 235' ' ' ALA . 52.0 Cg_exo -52.54 103.69 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.583 2.189 . . . . 99.989999999999995 111.973 179.667 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 9.7 t -53.33 147.79 9.83 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.159 0.504 . . . . 99.989999999999995 111.083 -179.656 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' P' P ' 232' ' ' TYR . . . . . 0.513 ' CD2' ' CG2' ' W' ' 548' ' ' ILE . 1.1 t80 -60.85 84.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.655 -0.702 . . . . 99.989999999999995 110.995 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -177.5 -41.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 99.989999999999995 111.049 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -102.88 -29.8 11.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 99.989999999999995 111.035 -179.916 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' P' P ' 235' ' ' ALA . . . . . 0.43 ' CB ' ' HB2' ' P' ' 230' ' ' PRO . . . -90.59 53.94 2.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.292 -0.413 . . . . 99.989999999999995 111.061 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.01 78.92 1.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 99.989999999999995 110.831 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 1.5 p80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 99.989999999999995 110.931 -179.993 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' W' W ' 521' ' ' GLY . . . . . 0.783 ' CA ' ' H3 ' ' W' ' 521' ' ' GLY . . . . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 110.096 -1.202 . . . . 99.989999999999995 110.096 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' W' W ' 522' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' W' ' 521' ' ' GLY . 51.5 Cg_exo -52.9 -32.2 55.97 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.602 2.202 . . . . 99.989999999999995 112.226 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.73 27.04 9.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 99.989999999999995 110.921 -179.919 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -145.73 60.75 0.48 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.723 -0.751 . . . . 99.989999999999995 112.526 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.46 -53.0 2.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.865 0.364 . . . . 99.989999999999995 110.942 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -156.47 -76.4 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.677 -0.773 . . . . 99.989999999999995 112.578 -179.898 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 56.65 68.62 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.823 0.344 . . . . 99.989999999999995 110.749 -179.852 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 63.58 138.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.083 -0.508 . . . . 99.989999999999995 110.857 180.0 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' W' W ' 529' ' ' GLU . . . . . 0.435 ' HB3' ' NH1' ' W' ' 561' ' ' ARG . 14.5 tt0 -85.88 124.81 70.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 99.989999999999995 110.914 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -60.34 160.88 21.81 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.271 1.981 . . . . 99.989999999999995 112.483 -179.916 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' W' W ' 531' ' ' LEU . . . . . 0.429 ' CD2' ' HA ' ' W' ' 536' ' ' SER . 0.2 OUTLIER -75.04 146.43 82.35 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.788 -0.642 . . . . 99.989999999999995 110.206 179.673 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' W' W ' 532' ' ' PRO . . . . . 0.475 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 76.2 Cg_exo -49.08 -174.09 0.0 OUTLIER 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.625 2.217 . . . . 99.989999999999995 113.371 -179.271 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' W' W ' 533' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 24.8 Cg_exo -64.79 -12.39 33.85 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.303 2.669 . . . . 99.989999999999995 115.424 -177.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' W' W ' 534' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -145.79 43.76 1.26 Allowed 'General case' 0 C--N 1.312 -1.04 0 C-N-CA 120.17 -0.612 . . . . 99.989999999999995 111.845 -178.866 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' W' W ' 535' ' ' TRP . . . . . 0.498 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 47.9 m95 -137.97 168.93 18.7 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.832 0.678 . . . . 99.989999999999995 112.832 -179.87 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' W' W ' 536' ' ' SER . . . . . 0.429 ' HA ' ' CD2' ' W' ' 531' ' ' LEU . 0.6 OUTLIER -159.2 -167.68 2.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.039 -0.982 . . . . 99.989999999999995 110.497 -179.961 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' W' W ' 537' ' ' MET . . . . . 0.437 ' HE1' ' CE1' ' W' ' 547' ' ' PHE . 17.5 mtp -129.02 152.94 48.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.904 -0.589 . . . . 99.989999999999995 111.001 -179.881 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' W' W ' 538' ' ' GLN . . . . . 0.473 ' O ' ' CD1' ' W' ' 546' ' ' PHE . 4.3 tp-100 -168.45 129.81 1.32 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.232 -0.44 . . . . 99.989999999999995 111.038 179.844 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 13.7 p -84.7 125.72 40.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.123 -0.49 . . . . 99.989999999999995 110.667 179.735 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' W' W ' 540' ' ' ALA . . . . . 0.437 ' CB ' ' HD2' ' W' ' 541' ' ' PRO . . . -98.17 169.79 7.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 99.989999999999995 111.454 -179.489 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' W' W ' 541' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' W' ' 540' ' ' ALA . 56.5 Cg_endo -70.85 -23.52 25.75 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.546 2.164 . . . . 99.989999999999995 111.855 179.719 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' W' W ' 542' ' ' ASN . . . . . 0.401 ' ND2' ' NE ' ' W' ' 544' ' ' ARG . 52.7 t30 -50.25 -32.63 17.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.978 -0.556 . . . . 99.989999999999995 110.697 179.684 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 123.98 -10.21 8.39 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.739 -0.743 . . . . 99.989999999999995 112.858 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' W' W ' 544' ' ' ARG . . . . . 0.529 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 2.2 ptp180 -131.35 158.28 41.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.048 0.452 . . . . 99.989999999999995 111.374 -179.804 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.29 146.57 28.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.792 -0.64 . . . . 99.989999999999995 110.618 179.581 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' W' W ' 546' ' ' PHE . . . . . 0.477 ' HB3' ' CZ3' ' W' ' 557' ' ' TRP . 5.8 p90 -118.59 -176.07 3.01 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.11 -0.495 . . . . 99.989999999999995 111.179 -179.66 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' W' W ' 547' ' ' PHE . . . . . 0.476 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.8 OUTLIER -120.88 118.36 29.73 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.294 0.568 . . . . 99.989999999999995 110.892 179.785 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' W' W ' 548' ' ' ILE . . . . . 0.44 ' CD1' ' HB2' ' W' ' 538' ' ' GLN . 3.3 mt -82.4 143.32 12.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.4 -0.818 . . . . 99.989999999999995 110.653 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -122.09 116.93 25.12 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.873 -0.603 . . . . 99.989999999999995 110.612 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -81.82 -26.41 34.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 99.989999999999995 111.186 -179.764 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -57.54 -38.36 74.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 99.989999999999995 110.881 179.837 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.67 -13.22 9.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 99.989999999999995 111.532 -179.903 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.98 43.1 0.33 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.833 0.349 . . . . 99.989999999999995 110.711 -179.75 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -131.56 -166.16 1.68 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.192 -0.458 . . . . 99.989999999999995 111.098 -179.836 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 38.8 p -142.22 176.2 9.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 99.989999999999995 111.275 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 10.0 t -167.29 167.27 14.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 99.989999999999995 111.369 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' W' W ' 557' ' ' TRP . . . . . 0.529 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 11.6 m95 -96.53 11.8 33.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 99.989999999999995 112.022 -179.63 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 6.5 mm -128.61 154.44 39.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.922 0.391 . . . . 99.989999999999995 111.774 -179.272 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' W' W ' 559' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -99.8 114.19 65.5 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 115.892 -0.594 . . . . 99.989999999999995 110.943 -179.867 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' W' W ' 560' ' ' PRO . . . . . 0.498 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 9.4 Cg_endo -55.87 -19.21 24.51 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.368 2.045 . . . . 99.989999999999995 112.507 -179.856 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' W' W ' 561' ' ' ARG . . . . . 0.435 ' NH1' ' HB3' ' W' ' 529' ' ' GLU . 0.1 OUTLIER -57.01 -59.39 5.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.994 0.426 . . . . 99.989999999999995 110.296 179.746 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -112.94 -40.92 3.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.931 -0.577 . . . . 99.989999999999995 110.699 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 108.61 39.41 1.76 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.858 -0.686 . . . . 99.989999999999995 112.419 -179.89 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.49 166.24 15.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.801 0.334 . . . . 99.989999999999995 110.927 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.7 104.45 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 99.989999999999995 111.236 -179.825 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 83.7 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 99.989999999999995 111.148 179.903 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 40.0 p . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.854 0.359 . . . . 99.989999999999995 111.181 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . 60.16 17.69 46.21 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.792 -0.718 . . . . 99.989999999999995 112.796 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' P' P ' 229' ' ' LEU . . . . . 0.481 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 9.1 tp -101.72 110.4 61.89 Favored Pre-proline 0 C--N 1.329 -0.31 0 O-C-N 122.828 -0.219 . . . . 99.989999999999995 110.804 179.927 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -57.11 -154.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.38 2.054 . . . . 99.989999999999995 111.978 179.796 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 1.6 m -159.3 56.43 0.4 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.555 -0.293 . . . . 99.989999999999995 111.187 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' P' P ' 232' ' ' TYR . . . . . . . . . . . . . 1.9 t80 69.82 -67.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.4 -0.364 . . . . 99.989999999999995 111.015 179.519 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -49.53 -58.13 5.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 99.989999999999995 111.145 -179.834 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -76.6 -30.89 57.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 99.989999999999995 111.111 -179.757 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' P' P ' 235' ' ' ALA . . . . . 0.464 ' HB1' ' CE2' ' W' ' 546' ' ' PHE . . . -58.95 -54.26 49.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 99.989999999999995 111.245 -179.788 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 18.5 mt -66.52 -23.77 66.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.316 -0.402 . . . . 99.989999999999995 111.12 -179.862 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.414 -0.357 . . . . 99.989999999999995 110.908 -179.902 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' W' W ' 521' ' ' GLY . . . . . 0.903 ' H1 ' ' N ' ' W' ' 521' ' ' GLY . . . . . . . . 0 N--CA 1.449 -0.451 0 N-CA-C 110.078 -1.209 . . . . 99.989999999999995 110.078 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' W' W ' 522' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 67.8 Cg_endo -73.95 168.42 24.83 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.688 2.259 . . . . 99.989999999999995 112.376 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 4.9 mp -93.35 60.31 3.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 99.989999999999995 110.89 179.898 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -67.84 -146.07 0.12 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.705 -0.759 . . . . 99.989999999999995 112.567 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.88 156.79 42.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.813 0.339 . . . . 99.989999999999995 110.983 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . 151.95 110.41 0.46 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.862 -0.685 . . . . 99.989999999999995 112.442 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 63.49 33.26 13.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.354 . . . . 99.989999999999995 110.72 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.7 74.87 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 99.989999999999995 111.004 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' W' W ' 529' ' ' GLU . . . . . 0.414 ' HB3' ' HB2' ' W' ' 561' ' ' ARG . 7.5 tp10 -66.44 142.11 97.53 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 99.989999999999995 110.704 179.903 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' W' W ' 530' ' ' PRO . . . . . 0.402 ' HD2' ' CG ' ' W' ' 529' ' ' GLU . 42.5 Cg_endo -67.0 126.85 15.85 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.631 2.22 . . . . 99.989999999999995 112.525 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' W' W ' 531' ' ' LEU . . . . . 0.43 ' CD1' ' HA ' ' W' ' 536' ' ' SER . 0.0 OUTLIER -37.86 136.68 0.75 Allowed Pre-proline 0 N--CA 1.473 0.724 0 CA-C-N 115.783 -0.644 . . . . 99.989999999999995 111.574 -179.93 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' W' W ' 532' ' ' PRO . . . . . 0.478 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 72.6 Cg_exo -50.85 -173.55 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.584 2.189 . . . . 99.989999999999995 113.312 -179.574 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' W' W ' 533' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 17.3 Cg_exo -71.28 -9.08 24.73 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.571 2.848 . . . . 99.989999999999995 114.974 -178.177 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' W' W ' 534' ' ' ARG . . . . . 0.443 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 19.2 mmt85 -142.1 38.9 1.6 Allowed 'General case' 0 C--N 1.313 -0.98 0 C-N-CA 120.405 -0.518 . . . . 99.989999999999995 111.903 -178.829 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' W' W ' 535' ' ' TRP . . . . . 0.502 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 31.3 m95 -139.31 169.59 17.49 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.359 0.599 . . . . 99.989999999999995 112.483 -179.65 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' W' W ' 536' ' ' SER . . . . . 0.43 ' HA ' ' CD1' ' W' ' 531' ' ' LEU . 0.1 OUTLIER -142.4 -158.95 0.91 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.129 -0.941 . . . . 99.989999999999995 110.29 179.936 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' W' W ' 537' ' ' MET . . . . . 0.429 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 17.3 mtp -148.79 126.89 12.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.355 -0.384 . . . . 99.989999999999995 110.689 179.798 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' W' W ' 538' ' ' GLN . . . . . 0.46 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 1.5 tp60 -152.46 132.6 13.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.287 -0.415 . . . . 99.989999999999995 111.136 -179.637 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 12.6 t -80.43 127.6 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 99.989999999999995 110.464 179.609 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' W' W ' 540' ' ' ALA . . . . . . . . . . . . . . . -91.15 141.34 26.25 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.296 -0.411 . . . . 99.989999999999995 111.159 -179.661 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -55.0 -23.42 34.99 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.542 2.162 . . . . 99.989999999999995 111.471 179.457 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -51.99 -34.37 42.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.75 -0.659 . . . . 99.989999999999995 110.718 179.642 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 130.37 -12.84 5.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.615 -0.802 . . . . 99.989999999999995 112.908 179.767 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' W' W ' 544' ' ' ARG . . . . . 0.494 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -126.56 155.38 42.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.973 0.416 . . . . 99.989999999999995 111.206 -179.799 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.68 146.13 27.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.893 -0.594 . . . . 99.989999999999995 110.435 179.289 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' W' W ' 546' ' ' PHE . . . . . 0.489 ' HB3' ' CZ3' ' W' ' 557' ' ' TRP . 5.3 p90 -121.16 179.3 4.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.158 -0.474 . . . . 99.989999999999995 111.059 179.927 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' W' W ' 547' ' ' PHE . . . . . 0.471 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.3 OUTLIER -124.93 120.64 32.19 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 115.755 -0.657 . . . . 99.989999999999995 110.552 179.707 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' W' W ' 548' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' W' ' 535' ' ' TRP . 2.8 mp -79.32 143.39 12.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.334 -0.848 . . . . 99.989999999999995 110.429 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' W' W ' 549' ' ' ASP . . . . . 0.45 ' OD1' ' CE2' ' W' ' 535' ' ' TRP . 32.0 t70 -123.76 119.73 30.61 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.831 -0.622 . . . . 99.989999999999995 110.972 -179.288 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' W' W ' 550' ' ' HIS . . . . . 0.436 ' CD2' ' N ' ' W' ' 550' ' ' HIS . 4.8 m170 -91.27 -23.78 20.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.04 -0.527 . . . . 99.989999999999995 110.777 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -60.93 -39.41 89.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.348 -0.387 . . . . 99.989999999999995 111.179 -179.827 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.35 -12.33 10.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.255 -0.43 . . . . 99.989999999999995 111.678 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' W' W ' 553' ' ' ARG . . . . . 0.485 ' HA ' ' CD2' ' P' ' 232' ' ' TYR . 0.2 OUTLIER 74.84 55.16 0.08 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.772 0.32 . . . . 99.989999999999995 110.823 -179.756 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' W' W ' 554' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' W' ' 549' ' ' ASP . 14.3 mtp180 -155.0 172.27 18.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.35 -0.386 . . . . 99.989999999999995 110.908 -179.92 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 67.5 p -123.75 -176.26 3.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.808 0.337 . . . . 99.989999999999995 111.061 179.829 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -174.88 166.89 3.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 99.989999999999995 111.439 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' W' W ' 557' ' ' TRP . . . . . 0.495 ' CZ2' ' HB2' ' P' ' 229' ' ' LEU . 25.9 m95 -91.93 21.0 5.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.905 -0.589 . . . . 99.989999999999995 111.14 179.701 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.3 mm -133.48 143.9 37.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.075 0.464 . . . . 99.989999999999995 111.898 -178.771 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' W' W ' 559' ' ' ASP . . . . . 0.415 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 3.4 m-20 -94.79 111.51 54.58 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.797 -0.638 . . . . 99.989999999999995 110.687 179.783 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' W' W ' 560' ' ' PRO . . . . . 0.502 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 3.6 Cg_endo -49.6 -35.24 36.99 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 121.99 1.793 . . . . 99.989999999999995 111.531 179.896 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' W' W ' 561' ' ' ARG . . . . . 0.414 ' HB2' ' HB3' ' W' ' 529' ' ' GLU . 0.1 OUTLIER -49.99 -41.57 47.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.679 -0.691 . . . . 99.989999999999995 110.788 179.539 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -116.51 -64.44 1.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.063 -0.517 . . . . 99.989999999999995 110.801 179.885 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 118.45 33.86 1.16 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.795 -0.717 . . . . 99.989999999999995 112.454 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -129.36 173.15 10.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.69 0.281 . . . . 99.989999999999995 110.813 179.905 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -65.13 70.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 99.989999999999995 111.546 -179.649 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 6.5 p . . . . . 0 C--N 1.332 -0.193 0 CA-C-N 116.179 -0.464 . . . . 99.989999999999995 111.476 179.658 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 65.3 p . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.785 0.326 . . . . 99.989999999999995 111.112 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . 90.71 22.95 32.11 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 99.989999999999995 112.472 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' P' P ' 229' ' ' LEU . . . . . 0.495 ' HB2' ' CZ2' ' W' ' 557' ' ' TRP . 0.5 OUTLIER -105.57 100.59 27.44 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 120.519 0.199 . . . . 99.989999999999995 111.123 -179.701 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -56.38 93.8 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.331 2.021 . . . . 99.989999999999995 111.619 179.539 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' P' P ' 231' ' ' SER . . . . . 0.419 ' O ' ' N ' ' P' ' 233' ' ' ASP . 5.8 m -60.1 146.56 42.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 99.989999999999995 111.485 -179.442 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' P' P ' 232' ' ' TYR . . . . . 0.485 ' CD2' ' HA ' ' W' ' 553' ' ' ARG . 37.8 t80 -53.28 88.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.721 -0.672 . . . . 99.989999999999995 110.712 179.777 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' P' P ' 233' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' P' ' 231' ' ' SER . 0.3 OUTLIER 175.47 -37.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.006 -0.543 . . . . 99.989999999999995 110.768 -179.873 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -116.12 -20.56 9.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 99.989999999999995 111.4 -179.795 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -72.01 -31.25 66.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.759 0.314 . . . . 99.989999999999995 111.272 -179.803 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' P' P ' 236' ' ' LEU . . . . . 0.483 HD13 ' CD1' ' P' ' 232' ' ' TYR . 5.4 mp -62.68 117.69 6.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 99.989999999999995 110.913 -179.775 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 99.989999999999995 110.949 -179.984 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' W' W ' 521' ' ' GLY . . . . . 0.775 ' H1 ' ' CA ' ' W' ' 521' ' ' GLY . . . . . . . . 0 N--CA 1.449 -0.475 0 N-CA-C 110.1 -1.2 . . . . 99.989999999999995 110.1 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' W' W ' 522' ' ' PRO . . . . . 0.577 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 58.0 Cg_endo -71.88 121.3 7.5 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.588 2.192 . . . . 99.989999999999995 112.42 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 10.1 tp 69.84 74.63 0.23 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 99.989999999999995 110.894 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . 116.02 -152.45 17.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 99.989999999999995 112.511 -179.939 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 58.9 m 62.32 152.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 99.989999999999995 110.848 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . 115.46 -111.57 2.49 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.803 -0.713 . . . . 99.989999999999995 112.508 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -134.46 34.77 3.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 99.989999999999995 110.905 -179.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -141.13 102.88 4.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 99.989999999999995 110.819 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' W' W ' 529' ' ' GLU . . . . . 0.422 ' O ' ' NH2' ' W' ' 561' ' ' ARG . 0.0 OUTLIER -72.16 143.15 85.69 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 99.989999999999995 111.077 -179.942 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -56.7 150.11 55.2 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.682 2.254 . . . . 99.989999999999995 112.629 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' W' W ' 531' ' ' LEU . . . . . 0.444 ' CD1' ' HA ' ' W' ' 536' ' ' SER . 1.0 OUTLIER -96.33 136.64 21.84 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.016 -0.538 . . . . 99.989999999999995 109.618 179.233 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' W' W ' 532' ' ' PRO . . . . . 0.47 ' HB2' ' CD1' ' W' ' 535' ' ' TRP . 71.9 Cg_exo -49.67 -176.01 0.01 OUTLIER 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 122.468 2.112 . . . . 99.989999999999995 113.5 -178.734 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' W' W ' 533' ' ' PRO . . . . . 0.44 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 17.1 Cg_exo -71.15 -1.11 9.07 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.584 2.856 . . . . 99.989999999999995 115.153 -177.893 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' W' W ' 534' ' ' ARG . . . . . 0.439 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 6.1 mmt180 -151.17 38.46 0.65 Allowed 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 120.211 -0.596 . . . . 99.989999999999995 111.492 -179.189 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' W' W ' 535' ' ' TRP . . . . . 0.49 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 31.8 m95 -139.24 168.91 18.76 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.34 0.591 . . . . 99.989999999999995 112.439 -179.632 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' W' W ' 536' ' ' SER . . . . . 0.444 ' HA ' ' CD1' ' W' ' 531' ' ' LEU . 0.1 OUTLIER -146.32 -157.31 0.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.113 -0.949 . . . . 99.989999999999995 110.334 -179.826 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' W' W ' 537' ' ' MET . . . . . 0.408 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 28.3 mtp -149.17 128.9 13.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.797 0.332 . . . . 99.989999999999995 110.85 179.889 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' W' W ' 538' ' ' GLN . . . . . 0.46 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 0.7 OUTLIER -153.21 134.6 14.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 99.989999999999995 111.041 -179.713 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 2.3 t -81.56 133.1 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 99.989999999999995 110.767 179.828 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' W' W ' 540' ' ' ALA . . . . . 0.475 ' HB1' ' CE1' ' W' ' 546' ' ' PHE . . . -99.14 154.93 37.07 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.42 . . . . 99.989999999999995 111.234 -179.712 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -61.75 -25.51 78.74 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.528 2.152 . . . . 99.989999999999995 111.655 179.678 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -50.16 -34.41 22.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.791 -0.641 . . . . 99.989999999999995 110.835 179.711 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 126.62 -8.45 7.34 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.642 -0.789 . . . . 99.989999999999995 112.944 179.889 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' W' W ' 544' ' ' ARG . . . . . 0.491 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -130.88 154.49 48.02 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.946 0.403 . . . . 99.989999999999995 111.237 -179.801 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.16 146.49 29.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.898 -0.592 . . . . 99.989999999999995 110.759 179.628 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' W' W ' 546' ' ' PHE . . . . . 0.488 ' HB3' ' CZ3' ' W' ' 557' ' ' TRP . 5.3 p90 -119.56 -176.5 3.17 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.174 -0.466 . . . . 99.989999999999995 111.201 -179.893 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' W' W ' 547' ' ' PHE . . . . . 0.484 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.6 OUTLIER -125.85 123.71 39.28 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.895 -0.593 . . . . 99.989999999999995 110.584 179.716 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' W' W ' 548' ' ' ILE . . . . . 0.532 ' CG2' ' CD2' ' P' ' 232' ' ' TYR . 2.7 mp -85.4 149.79 4.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.273 -0.876 . . . . 99.989999999999995 110.798 -179.64 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -126.77 116.44 20.91 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.285 -0.87 . . . . 99.989999999999995 110.854 -179.817 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' W' W ' 550' ' ' HIS . . . . . 0.419 ' CD2' ' N ' ' W' ' 550' ' ' HIS . 6.7 m170 -81.56 -29.94 33.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 99.989999999999995 110.999 -179.853 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -48.88 -33.96 11.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.342 -0.39 . . . . 99.989999999999995 111.144 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.76 7.2 3.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.052 -0.522 . . . . 99.989999999999995 111.658 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' W' W ' 553' ' ' ARG . . . . . 0.448 ' HA ' ' CD2' ' P' ' 232' ' ' TYR . 10.1 mmt85 58.91 61.35 2.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.612 0.244 . . . . 99.989999999999995 111.085 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 13.2 mtm105 -144.6 -166.17 2.32 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.853 0.359 . . . . 99.989999999999995 111.415 -179.877 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' W' W ' 555' ' ' THR . . . . . 0.419 HG21 ' N ' ' P' ' 232' ' ' TYR . 65.2 p -146.78 -178.4 6.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.981 -0.554 . . . . 99.989999999999995 110.801 179.938 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.21 163.2 2.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 99.989999999999995 111.214 179.766 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' W' W ' 557' ' ' TRP . . . . . 0.494 ' CE2' ' HB2' ' P' ' 229' ' ' LEU . 18.8 m95 -88.58 16.26 6.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.885 -0.598 . . . . 99.989999999999995 111.71 -179.887 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.0 mm -128.02 143.14 41.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.036 0.446 . . . . 99.989999999999995 111.858 -178.938 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' W' W ' 559' ' ' ASP . . . . . 0.43 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 1.4 m-20 -98.48 111.28 59.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.756 -0.656 . . . . 99.989999999999995 111.122 -179.61 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' W' W ' 560' ' ' PRO . . . . . 0.49 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 5.6 Cg_endo -50.93 -34.6 46.5 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 121.962 1.775 . . . . 99.989999999999995 111.44 179.682 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' W' W ' 561' ' ' ARG . . . . . 0.422 ' NH2' ' O ' ' W' ' 529' ' ' GLU . 0.0 OUTLIER -53.84 -29.39 40.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.794 -0.639 . . . . 99.989999999999995 110.709 179.483 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -130.36 -67.21 0.74 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.449 . . . . 99.989999999999995 110.849 -179.894 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' W' W ' 563' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' W' ' 559' ' ' ASP . . . 117.11 49.16 0.42 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.702 -0.761 . . . . 99.989999999999995 112.467 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -145.12 166.39 25.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.364 . . . . 99.989999999999995 110.955 -179.92 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -62.27 118.16 7.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.505 . . . . 99.989999999999995 111.098 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 99.989999999999995 110.981 -179.881 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.785 0.326 . . . . 99.989999999999995 111.181 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . 133.89 59.31 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 99.989999999999995 112.503 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' P' P ' 229' ' ' LEU . . . . . 0.494 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 4.1 tp -101.75 104.04 32.47 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 120.481 0.181 . . . . 99.989999999999995 110.863 179.903 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' P' P ' 230' ' ' PRO . . . . . 0.429 ' CD ' ' HB1' ' W' ' 540' ' ' ALA . 14.4 Cg_exo -69.64 110.51 2.55 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.676 2.25 . . . . 99.989999999999995 111.966 -179.899 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 19.5 p -49.48 156.72 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 99.989999999999995 111.06 -179.827 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' P' P ' 232' ' ' TYR . . . . . 0.532 ' CD2' ' CG2' ' W' ' 548' ' ' ILE . 1.2 t80 -74.45 82.35 1.95 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.88 -0.6 . . . . 99.989999999999995 110.94 -179.76 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 28.7 t70 177.22 -36.03 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.957 -0.565 . . . . 99.989999999999995 110.698 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.76 -24.87 14.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.51 . . . . 99.989999999999995 110.821 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -99.31 63.38 1.29 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.309 -0.405 . . . . 99.989999999999995 111.156 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.51 74.18 0.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.31 -0.405 . . . . 99.989999999999995 111.067 -179.897 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 4.3 p80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 99.989999999999995 110.823 179.786 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' W' W ' 521' ' ' GLY . . . . . 0.78 ' H1 ' ' CA ' ' W' ' 521' ' ' GLY . . . . . . . . 0 N--CA 1.448 -0.509 0 N-CA-C 110.095 -1.202 . . . . 99.989999999999995 110.095 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' W' W ' 522' ' ' PRO . . . . . 0.622 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 51.7 Cg_endo -68.77 -46.25 1.82 Allowed 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.53 2.153 . . . . 99.989999999999995 112.248 179.888 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 3.2 mt -105.65 64.78 0.7 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.043 -0.526 . . . . 99.989999999999995 110.764 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -148.68 166.9 29.25 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.729 -0.748 . . . . 99.989999999999995 112.442 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.61 154.87 42.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 99.989999999999995 110.882 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . 140.65 148.28 5.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.741 . . . . 99.989999999999995 112.5 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -72.6 -59.31 2.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.856 0.36 . . . . 99.989999999999995 110.804 179.919 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -155.75 -83.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 99.989999999999995 110.792 179.913 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' W' W ' 529' ' ' GLU . . . . . 0.428 ' CB ' ' HD3' ' W' ' 561' ' ' ARG . 3.1 tp10 -124.37 125.19 25.69 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.98 -0.555 . . . . 99.989999999999995 110.993 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.74 113.02 1.19 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.499 2.133 . . . . 99.989999999999995 112.334 179.933 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' W' W ' 531' ' ' LEU . . . . . 0.437 ' CD2' ' HG3' ' W' ' 537' ' ' MET . 1.0 OUTLIER -51.66 140.24 28.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 99.989999999999995 110.441 179.717 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' W' W ' 532' ' ' PRO . . . . . 0.47 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 70.8 Cg_exo -50.76 -174.2 0.01 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.427 2.084 . . . . 99.989999999999995 112.954 -179.435 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' W' W ' 533' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 22.1 Cg_exo -68.43 -12.15 34.02 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.282 2.655 . . . . 99.989999999999995 115.223 -178.056 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' W' W ' 534' ' ' ARG . . . . . 0.446 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 19.2 mmt180 -142.2 45.35 1.65 Allowed 'General case' 0 C--N 1.314 -0.97 0 C-N-CA 120.451 -0.5 . . . . 99.989999999999995 111.744 -178.833 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' W' W ' 535' ' ' TRP . . . . . 0.488 ' CE2' ' HG3' ' W' ' 560' ' ' PRO . 41.3 m95 -143.32 169.2 18.09 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.747 0.647 . . . . 99.989999999999995 112.747 -179.65 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' W' W ' 536' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.95 -163.77 1.64 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.014 -0.994 . . . . 99.989999999999995 110.332 179.906 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' W' W ' 537' ' ' MET . . . . . 0.437 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 5.2 mtt -131.28 153.22 49.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.196 -0.456 . . . . 99.989999999999995 111.075 -179.741 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' W' W ' 538' ' ' GLN . . . . . 0.479 ' HB3' ' CZ ' ' W' ' 546' ' ' PHE . 4.8 tp-100 -169.17 128.49 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 99.989999999999995 111.162 179.789 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' W' W ' 539' ' ' VAL . . . . . 0.42 HG23 ' CG2' ' W' ' 545' ' ' THR . 17.9 t -85.44 125.67 40.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.035 -0.529 . . . . 99.989999999999995 110.575 179.66 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' W' W ' 540' ' ' ALA . . . . . 0.439 ' HB3' ' CE1' ' W' ' 546' ' ' PHE . . . -100.53 152.55 37.87 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 99.989999999999995 111.423 -179.388 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_exo -60.46 -25.61 80.9 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.666 2.244 . . . . 99.989999999999995 111.512 179.545 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -47.18 -34.03 5.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.749 -0.66 . . . . 99.989999999999995 110.667 179.674 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 126.32 -10.43 7.3 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.715 -0.755 . . . . 99.989999999999995 112.747 179.833 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' W' W ' 544' ' ' ARG . . . . . 0.488 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.1 OUTLIER -131.3 155.24 47.52 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.942 0.401 . . . . 99.989999999999995 111.16 -179.936 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' W' W ' 545' ' ' THR . . . . . 0.42 ' CG2' HG23 ' W' ' 539' ' ' VAL . 0.6 OUTLIER -80.37 146.11 31.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.9 -0.591 . . . . 99.989999999999995 110.16 179.221 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' W' W ' 546' ' ' PHE . . . . . 0.487 ' HB3' ' CZ3' ' W' ' 557' ' ' TRP . 4.7 p90 -118.44 169.54 9.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.885 0.374 . . . . 99.989999999999995 110.958 179.884 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' W' W ' 547' ' ' PHE . . . . . 0.483 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.6 OUTLIER -115.64 129.31 56.45 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.476 0.655 . . . . 99.989999999999995 111.05 -179.558 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' W' W ' 548' ' ' ILE . . . . . 0.533 ' CG2' ' CD2' ' P' ' 232' ' ' TYR . 2.7 mp -89.21 151.25 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 114.93 -1.032 . . . . 99.989999999999995 110.678 -179.817 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' W' W ' 549' ' ' ASP . . . . . 0.436 ' OD2' ' CZ2' ' W' ' 535' ' ' TRP . 7.1 t70 -128.67 115.32 17.85 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.288 -0.869 . . . . 99.989999999999995 110.926 -179.758 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' W' W ' 550' ' ' HIS . . . . . 0.405 ' CD2' ' N ' ' W' ' 550' ' ' HIS . 7.2 m170 -82.31 -24.58 34.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 99.989999999999995 110.902 179.936 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -54.94 -39.9 69.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 99.989999999999995 110.757 179.706 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.86 -4.33 8.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.008 -0.542 . . . . 99.989999999999995 111.549 179.911 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' W' W ' 553' ' ' ARG . . . . . 0.42 ' HA ' ' CD2' ' P' ' 232' ' ' TYR . 13.0 mmt180 66.59 64.09 0.5 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.836 0.35 . . . . 99.989999999999995 110.841 -179.666 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -152.7 -174.97 5.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 99.989999999999995 110.927 -179.801 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' W' W ' 555' ' ' THR . . . . . 0.431 HG21 ' N ' ' P' ' 232' ' ' TYR . 41.3 p -137.78 171.21 14.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 99.989999999999995 110.929 179.792 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 1.8 t -164.52 169.97 16.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.064 0.459 . . . . 99.989999999999995 111.385 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' W' W ' 557' ' ' TRP . . . . . 0.488 ' CE2' ' HB2' ' P' ' 229' ' ' LEU . 27.7 m95 -93.49 19.87 7.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.82 -0.627 . . . . 99.989999999999995 111.144 179.795 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 4.6 mm -133.36 137.27 53.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.916 0.388 . . . . 99.989999999999995 111.572 -179.133 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' W' W ' 559' ' ' ASP . . . . . 0.475 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 21.9 p30 -97.71 114.39 64.89 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.058 -0.519 . . . . 99.989999999999995 110.687 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' W' W ' 560' ' ' PRO . . . . . 0.488 ' HG3' ' CE2' ' W' ' 535' ' ' TRP . 5.1 Cg_endo -50.54 -35.97 47.9 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.374 2.049 . . . . 99.989999999999995 112.217 -179.766 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' W' W ' 561' ' ' ARG . . . . . 0.428 ' HD3' ' CB ' ' W' ' 529' ' ' GLU . 0.1 OUTLIER -49.02 -32.33 9.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.08 -0.509 . . . . 99.989999999999995 110.925 179.823 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' W' W ' 562' ' ' ASN . . . . . 0.411 ' ND2' ' OD2' ' W' ' 559' ' ' ASP . 3.0 m-20 -129.35 -63.71 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.03 -0.532 . . . . 99.989999999999995 110.725 -179.918 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 120.9 33.96 0.94 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 99.989999999999995 112.612 179.92 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.55 178.74 6.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 99.989999999999995 110.914 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -50.83 108.94 0.27 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.15 -0.477 . . . . 99.989999999999995 111.116 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.05 -0.523 . . . . 99.989999999999995 110.968 179.98 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' P' P ' 227' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' P' ' 228' ' ' GLY . 2.8 t . . . . . 0 N--CA 1.485 1.279 0 CA-C-O 120.725 0.297 . . . . 99.989999999999995 111.178 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' P' P ' 228' ' ' GLY . . . . . 0.413 ' N ' ' OG1' ' P' ' 227' ' ' THR . . . 122.82 36.16 0.69 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.766 -0.731 . . . . 99.989999999999995 112.443 -179.927 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' P' P ' 229' ' ' LEU . . . . . 0.488 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 0.4 OUTLIER -105.91 101.01 31.09 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.624 0.25 . . . . 99.989999999999995 111.013 -179.892 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -57.58 104.52 0.16 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.363 2.042 . . . . 99.989999999999995 112.058 179.808 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 16.7 t -53.19 154.42 3.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.463 . . . . 99.989999999999995 111.256 -179.786 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' P' P ' 232' ' ' TYR . . . . . 0.533 ' CD2' ' CG2' ' W' ' 548' ' ' ILE . 1.1 t80 -70.19 72.7 0.45 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.838 -0.619 . . . . 99.989999999999995 110.965 -179.897 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -173.28 -41.81 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.005 -0.543 . . . . 99.989999999999995 110.667 179.887 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -108.53 21.67 16.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.038 -0.528 . . . . 99.989999999999995 110.931 179.693 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -153.54 70.96 0.86 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.356 -0.384 . . . . 99.989999999999995 111.086 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -152.31 29.51 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 99.989999999999995 111.006 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 8.2 p80 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 99.989999999999995 110.88 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' W' W ' 531' ' ' LEU . . . . . 0.807 HD13 ' HA ' ' W' ' 536' ' ' SER . 0.3 OUTLIER . . . . . 0 N--CA 1.461 0.086 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 532' ' ' PRO . . . . . 0.442 ' HG2' ' HG2' ' W' ' 560' ' ' PRO . 83.4 Cg_exo -49.0 179.16 0.01 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.218 1.945 . . . . 0.0 112.674 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 533' ' ' PRO . . . . . 0.44 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 93.1 Cg_exo -45.55 -40.02 17.85 Favored 'Trans proline' 0 CA--C 1.515 -0.442 0 C-N-CA 123.337 2.691 . . . . 0.0 115.335 -178.459 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 534' ' ' ARG . . . . . 0.434 ' HB3' ' N ' ' W' ' 551' ' ' ALA . 11.2 mmm180 -131.88 63.76 1.61 Allowed 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.713 -178.084 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 535' ' ' TRP . . . . . 0.556 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 70.4 m95 -150.11 162.22 40.84 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 536' ' ' SER . . . . . 0.807 ' HA ' HD13 ' W' ' 531' ' ' LEU . 1.7 m -145.49 -171.81 3.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.001 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 537' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.39 123.59 8.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.973 0.416 . . . . 0.0 111.342 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 538' ' ' GLN . . . . . 0.487 ' HB2' HD11 ' W' ' 548' ' ' ILE . 0.3 OUTLIER -144.41 140.63 29.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.632 179.702 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' W' W ' 539' ' ' VAL . . . . . 0.491 ' HA ' HG22 ' W' ' 545' ' ' THR . 7.3 p -79.02 136.23 24.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 540' ' ' ALA . . . . . 0.806 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -101.52 168.54 8.95 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 541' ' ' PRO . . . . . 0.797 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 54.3 Cg_endo -69.79 -23.92 30.14 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.513 2.142 . . . . 0.0 112.113 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 542' ' ' ASN . . . . . 0.411 ' ND2' ' HD2' ' W' ' 544' ' ' ARG . 35.5 t-20 -52.62 -31.92 39.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.712 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 123.13 -8.15 9.13 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.036 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 544' ' ' ARG . . . . . 0.524 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.1 OUTLIER -129.57 158.59 38.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.992 0.425 . . . . 0.0 111.25 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' W' W ' 545' ' ' THR . . . . . 0.491 HG22 ' HA ' ' W' ' 539' ' ' VAL . 2.1 p -87.88 147.11 25.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.212 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 546' ' ' PHE . . . . . 0.806 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 4.0 p90 -120.16 -175.04 2.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.044 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 547' ' ' PHE . . . . . 0.522 ' CE2' HD23 ' W' ' 531' ' ' LEU . 2.5 m-85 -125.78 116.39 21.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.748 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 548' ' ' ILE . . . . . 0.487 HD11 ' HB2' ' W' ' 538' ' ' GLN . 3.5 mt -79.89 135.75 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -102.72 111.96 24.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.656 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 550' ' ' HIS . . . . . 0.411 ' HB2' ' HB3' ' W' ' 534' ' ' ARG . 29.2 m-70 -81.32 -23.54 37.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.074 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 551' ' ' ALA . . . . . 0.434 ' N ' ' HB3' ' W' ' 534' ' ' ARG . . . -59.93 -38.92 83.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.067 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.52 19.47 3.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.93 76.44 0.11 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.81 0.338 . . . . 0.0 111.166 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -150.02 -162.95 1.66 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.954 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 59.8 p -155.22 157.92 38.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 556' ' ' THR . . . . . 0.458 HG22 ' HZ3' ' W' ' 535' ' ' TRP . 4.3 t -155.61 157.08 36.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.046 0.45 . . . . 0.0 111.219 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 557' ' ' TRP . . . . . 0.524 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 17.0 m95 -80.71 -21.41 41.24 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.807 -179.534 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 2.6 mt -100.29 133.29 43.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.952 0.406 . . . . 0.0 111.527 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 559' ' ' ASP . . . . . 0.421 ' CB ' ' CE1' ' W' ' 547' ' ' PHE . 2.7 p30 -72.31 141.06 82.92 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.99 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 560' ' ' PRO . . . . . 0.556 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 22.0 Cg_endo -84.34 -27.33 1.47 Allowed 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.536 2.157 . . . . 0.0 111.948 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.61 -24.03 19.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.894 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -139.26 -57.31 0.59 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.593 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.414 -179.904 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.677 -0.169 . . . . 0.0 112.677 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' P' P ' 229' ' ' LEU . . . . . 0.504 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 32.0 tp 64.01 76.25 0.35 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.74 0.305 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -61.99 99.11 0.18 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.595 2.197 . . . . 0.0 112.122 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 10.4 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.015 -179.927 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' W' W ' 531' ' ' LEU . . . . . 0.787 HD13 ' HA ' ' W' ' 536' ' ' SER . 1.1 mt . . . . . 0 CA--C 1.531 0.222 0 CA-C-O 120.429 0.157 . . . . 0.0 110.768 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 532' ' ' PRO . . . . . 0.541 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 92.4 Cg_exo -46.5 179.76 0.0 OUTLIER 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 123.005 2.47 . . . . 0.0 112.831 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 533' ' ' PRO . . . . . 0.541 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 25.2 Cg_exo -36.04 -62.36 0.25 Allowed 'Trans proline' 0 CA--C 1.517 -0.37 0 C-N-CA 123.473 2.782 . . . . 0.0 114.667 -179.084 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 534' ' ' ARG . . . . . 0.474 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 10.5 mmm180 -116.33 73.37 0.85 Allowed 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.759 -178.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 535' ' ' TRP . . . . . 0.565 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 83.7 m95 -157.38 152.63 26.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.796 -179.454 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 536' ' ' SER . . . . . 0.787 ' HA ' HD13 ' W' ' 531' ' ' LEU . 1.4 m -146.06 -171.87 3.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.068 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 537' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.04 134.17 18.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.943 0.402 . . . . 0.0 110.99 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 538' ' ' GLN . . . . . 0.475 ' O ' ' CD1' ' W' ' 546' ' ' PHE . 0.0 OUTLIER -145.06 141.79 29.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.801 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' W' W ' 539' ' ' VAL . . . . . 0.855 HG22 ' CG2' ' W' ' 545' ' ' THR . 39.9 t -76.15 139.44 18.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.0 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 540' ' ' ALA . . . . . 0.817 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -109.63 165.57 12.4 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.415 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 541' ' ' PRO . . . . . 0.7 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 47.8 Cg_endo -68.55 -24.96 35.32 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.603 2.202 . . . . 0.0 111.838 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -53.18 -36.79 61.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.723 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 128.8 -9.53 6.39 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.06 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 544' ' ' ARG . . . . . 0.527 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 1.3 ptm180 -128.04 156.81 42.17 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.003 0.43 . . . . 0.0 111.342 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 545' ' ' THR . . . . . 0.855 ' CG2' HG22 ' W' ' 539' ' ' VAL . 1.4 p -83.29 146.42 28.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.165 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 546' ' ' PHE . . . . . 0.817 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 9.1 p90 -122.13 -174.63 2.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 547' ' ' PHE . . . . . 0.505 ' CE1' ' HB3' ' W' ' 559' ' ' ASP . 3.3 m-85 -114.33 165.59 12.55 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.08 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 548' ' ' ILE . . . . . 0.422 ' HB ' ' HB2' ' W' ' 536' ' ' SER . 16.6 mt -130.9 108.47 15.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.388 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 549' ' ' ASP . . . . . 0.49 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 19.7 t70 -82.87 109.04 16.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.78 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 550' ' ' HIS . . . . . 0.419 ' HB2' ' HB3' ' W' ' 534' ' ' ARG . 35.3 m-70 -80.16 -25.51 39.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -57.87 -30.99 66.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.28 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.83 20.18 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.303 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 5.9 mmt85 47.28 76.17 0.11 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.218 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -149.53 -173.84 4.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.85 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 555' ' ' THR . . . . . 0.694 ' HB ' HD11 ' P' ' 229' ' ' LEU . 71.1 p -146.12 158.32 43.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.94 0.4 . . . . 0.0 111.405 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 556' ' ' THR . . . . . 0.42 HG23 ' HB2' ' W' ' 547' ' ' PHE . 7.4 t -151.07 164.21 36.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.263 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 557' ' ' TRP . . . . . 0.527 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 14.8 m95 -89.86 -16.26 30.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.964 -179.48 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 10.0 mm -114.45 143.83 23.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.017 0.437 . . . . 0.0 111.782 -179.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 559' ' ' ASP . . . . . 0.505 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 2.1 p30 -76.07 141.54 71.16 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.695 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 560' ' ' PRO . . . . . 0.565 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 30.2 Cg_endo -86.01 -23.44 2.01 Favored 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 122.629 2.219 . . . . 0.0 112.222 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.69 -29.66 40.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.008 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 562' ' ' ASN . . . . . 0.404 ' ND2' ' OD1' ' W' ' 559' ' ' ASP . 11.8 p30 -145.28 -47.59 0.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.04 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.237 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.88 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' P' P ' 228' ' ' GLY . . . . . 0.401 ' O ' ' HD3' ' P' ' 230' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 229' ' ' LEU . . . . . 0.694 HD11 ' HB ' ' W' ' 555' ' ' THR . 25.3 tp -112.7 90.49 15.17 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.744 0.307 . . . . 0.0 110.886 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 230' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' P' ' 228' ' ' GLY . 46.8 Cg_exo -55.86 121.18 9.51 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.496 2.13 . . . . 0.0 112.221 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.888 -179.936 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' W' W ' 531' ' ' LEU . . . . . 0.894 HD23 ' CE2' ' W' ' 547' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.143 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 532' ' ' PRO . . . . . 0.469 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 81.9 Cg_exo -48.15 179.65 0.01 OUTLIER 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 122.501 2.134 . . . . 0.0 112.724 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 533' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 82.3 Cg_exo -43.65 -50.67 6.85 Favored 'Trans proline' 0 CA--C 1.516 -0.406 0 C-N-CA 123.383 2.722 . . . . 0.0 115.179 -178.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 534' ' ' ARG . . . . . 0.481 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 23.3 mmt180 -120.88 67.17 0.86 Allowed 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.629 -178.263 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 535' ' ' TRP . . . . . 0.557 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 81.0 m95 -154.22 156.14 36.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.159 0.505 . . . . 0.0 111.958 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 536' ' ' SER . . . . . 0.84 ' HA ' HD13 ' W' ' 531' ' ' LEU . 2.1 m -143.73 -171.78 3.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.057 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 537' ' ' MET . . . . . 0.456 ' HG3' HD21 ' W' ' 531' ' ' LEU . 0.3 OUTLIER -149.4 141.13 23.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.954 0.407 . . . . 0.0 111.455 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' W' W ' 538' ' ' GLN . . . . . 0.464 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 0.0 OUTLIER -164.22 135.91 4.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.486 179.767 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' W' W ' 539' ' ' VAL . . . . . 0.911 HG22 HG23 ' W' ' 545' ' ' THR . 21.3 t -69.35 141.03 17.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.962 0.41 . . . . 0.0 111.471 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 540' ' ' ALA . . . . . 0.918 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -107.68 169.78 6.29 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.1 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 541' ' ' PRO . . . . . 0.805 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 58.3 Cg_endo -71.4 -18.9 29.42 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.656 2.237 . . . . 0.0 112.398 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -60.54 -34.96 74.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 129.83 -12.81 5.87 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.593 -0.813 . . . . 0.0 113.007 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 544' ' ' ARG . . . . . 0.518 ' HG3' ' CE3' ' W' ' 557' ' ' TRP . 2.2 ptm180 -127.67 158.8 36.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.9 0.35 . . . . 0.0 111.14 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 545' ' ' THR . . . . . 0.911 HG23 HG22 ' W' ' 539' ' ' VAL . 0.6 OUTLIER -82.7 146.76 28.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.243 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' W' W ' 546' ' ' PHE . . . . . 0.918 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 4.1 p90 -122.29 161.57 23.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.071 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 547' ' ' PHE . . . . . 0.894 ' CE2' HD23 ' W' ' 531' ' ' LEU . 1.9 m-85 -102.68 122.39 44.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.979 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 548' ' ' ILE . . . . . 0.45 HD11 ' HB2' ' W' ' 538' ' ' GLN . 2.9 mp -80.6 133.88 28.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.837 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 549' ' ' ASP . . . . . 0.473 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 17.7 t0 -108.57 107.09 17.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -78.68 -26.64 45.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.018 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -56.4 -26.15 52.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.9 16.75 1.41 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.435 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? 50.26 65.86 1.32 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.817 0.341 . . . . 0.0 111.039 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.54 -162.05 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.067 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 555' ' ' THR . . . . . 0.527 ' O ' HD21 ' P' ' 229' ' ' LEU . 46.5 p -156.83 161.73 39.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.966 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 556' ' ' THR . . . . . 0.598 ' N ' HD11 ' P' ' 229' ' ' LEU . 14.5 t -155.62 167.37 30.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.95 0.405 . . . . 0.0 111.325 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 557' ' ' TRP . . . . . 0.518 ' CE3' ' HG3' ' W' ' 544' ' ' ARG . 11.5 m95 -93.76 -21.3 19.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.502 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.0 mm -105.57 133.46 49.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.333 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 559' ' ' ASP . . . . . 0.505 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 8.8 p30 -69.55 143.88 93.45 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.231 -179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 560' ' ' PRO . . . . . 0.557 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 37.5 Cg_endo -87.48 -20.27 2.14 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 122.742 2.295 . . . . 0.0 112.292 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.57 -27.75 58.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.036 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -144.27 -49.36 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.903 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' P' P ' 229' ' ' LEU . . . . . 0.598 HD11 ' N ' ' W' ' 556' ' ' THR . 49.7 tp -48.25 103.34 0.36 Allowed Pre-proline 0 C--N 1.331 -0.22 0 CA-C-O 120.47 0.176 . . . . 0.0 111.0 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 230' ' ' PRO . . . . . 0.404 ' HG2' ' CZ ' ' W' ' 546' ' ' PHE . 33.5 Cg_exo -58.94 -151.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.219 1.946 . . . . 0.0 111.648 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 9.4 p . . . . . 0 C--N 1.326 -0.418 0 CA-C-O 120.782 0.325 . . . . 0.0 110.956 179.821 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' W' W ' 531' ' ' LEU . . . . . 0.634 ' N ' HD22 ' W' ' 531' ' ' LEU . 2.1 mm? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.711 0.291 . . . . 0.0 110.506 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 532' ' ' PRO . . . . . 0.481 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 75.0 Cg_exo -48.94 -178.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.603 2.202 . . . . 0.0 112.798 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 533' ' ' PRO . . . . . 0.481 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 92.1 Cg_exo -45.5 -43.01 18.15 Favored 'Trans proline' 0 CA--C 1.516 -0.409 0 C-N-CA 123.312 2.675 . . . . 0.0 114.898 -178.641 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 534' ' ' ARG . . . . . 0.446 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 13.3 mmm180 -127.43 64.23 1.34 Allowed 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.529 -178.408 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 535' ' ' TRP . . . . . 0.535 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 67.0 m95 -149.79 160.55 43.47 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.162 0.506 . . . . 0.0 112.181 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 536' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.3 -156.31 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.386 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 537' ' ' MET . . . . . 0.435 ' HG3' HD11 ' W' ' 531' ' ' LEU . 26.9 mtp -157.13 131.64 8.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 0.0 111.034 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 538' ' ' GLN . . . . . 0.515 ' HB2' HD11 ' W' ' 548' ' ' ILE . 0.3 OUTLIER -149.86 150.09 31.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.953 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' W' W ' 539' ' ' VAL . . . . . 0.474 ' HA ' HG22 ' W' ' 545' ' ' THR . 14.4 p -92.45 136.4 24.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.896 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 540' ' ' ALA . . . . . 0.795 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -106.97 167.1 9.96 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.157 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 541' ' ' PRO . . . . . 0.753 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 57.6 Cg_endo -71.07 -23.26 25.11 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.5 2.134 . . . . 0.0 111.961 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 542' ' ' ASN . . . . . 0.431 ' ND2' ' HD3' ' W' ' 544' ' ' ARG . 30.5 t30 -51.58 -31.11 23.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.621 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 122.68 -9.69 9.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.599 -0.81 . . . . 0.0 113.05 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 544' ' ' ARG . . . . . 0.514 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 0.2 OUTLIER -131.1 153.92 48.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.986 0.422 . . . . 0.0 111.295 -179.794 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' W' W ' 545' ' ' THR . . . . . 0.474 HG22 ' HA ' ' W' ' 539' ' ' VAL . 0.9 OUTLIER -81.0 146.56 30.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.506 179.592 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' W' W ' 546' ' ' PHE . . . . . 0.795 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 6.3 p90 -118.07 -175.62 2.89 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.209 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 547' ' ' PHE . . . . . 0.496 ' CZ ' ' HB3' ' W' ' 559' ' ' ASP . 12.1 m-85 -123.2 121.54 36.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.156 0.503 . . . . 0.0 110.687 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 548' ' ' ILE . . . . . 0.515 HD11 ' HB2' ' W' ' 538' ' ' GLN . 3.7 mp -86.32 140.36 15.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.481 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 549' ' ' ASP . . . . . 0.444 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 61.3 t0 -121.01 114.44 21.51 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 550' ' ' HIS . . . . . 0.437 ' HB3' ' CZ ' ' W' ' 534' ' ' ARG . 11.3 m-70 -81.85 -20.08 39.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.254 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.68 -34.84 79.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.34 . . . . 0.0 111.255 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.72 3.08 8.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.787 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 58.24 48.63 12.37 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.742 0.306 . . . . 0.0 110.877 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -145.36 158.48 43.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 555' ' ' THR . . . . . 0.502 ' OG1' HD21 ' P' ' 229' ' ' LEU . 61.7 p -110.37 169.81 8.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.769 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 556' ' ' THR . . . . . 0.552 ' N ' HD11 ' P' ' 229' ' ' LEU . 1.8 t -158.35 160.21 36.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.002 0.43 . . . . 0.0 111.324 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 557' ' ' TRP . . . . . 0.514 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 20.4 m95 -91.61 15.87 11.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.392 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -133.28 141.37 44.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.932 0.396 . . . . 0.0 111.319 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 559' ' ' ASP . . . . . 0.496 ' HB3' ' CZ ' ' W' ' 547' ' ' PHE . 2.2 p30 -84.29 133.2 45.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.097 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 560' ' ' PRO . . . . . 0.535 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 17.6 Cg_endo -81.91 -32.57 0.77 Allowed 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.334 2.023 . . . . 0.0 111.632 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.7 -25.74 3.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.889 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -136.45 -48.16 0.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.713 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.302 -179.801 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.41 -0.276 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' P' P ' 229' ' ' LEU . . . . . 0.552 HD11 ' N ' ' W' ' 556' ' ' THR . 0.4 OUTLIER -99.6 106.25 38.81 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.535 0.207 . . . . 0.0 110.966 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -69.08 104.6 1.24 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.651 2.234 . . . . 0.0 112.085 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 6.9 t . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.989 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' W' W ' 531' ' ' LEU . . . . . 0.789 HD22 ' CA ' ' W' ' 536' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.638 0.256 . . . . 0.0 110.651 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 532' ' ' PRO . . . . . 0.533 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 95.5 Cg_exo -48.3 -177.66 0.0 OUTLIER 'Trans proline' 0 CA--C 1.534 0.486 0 C-N-CA 122.941 2.427 . . . . 0.0 112.86 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 533' ' ' PRO . . . . . 0.533 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 51.4 Cg_exo -40.29 -57.33 1.23 Allowed 'Trans proline' 0 CA--C 1.514 -0.5 0 C-N-CA 123.459 2.772 . . . . 0.0 114.949 -178.694 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 534' ' ' ARG . . . . . 0.423 ' HB3' ' N ' ' W' ' 551' ' ' ALA . 5.8 mmm180 -121.24 71.49 0.95 Allowed 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.032 -178.347 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 535' ' ' TRP . . . . . 0.55 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 80.8 m95 -153.47 153.22 32.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.06 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 536' ' ' SER . . . . . 0.789 ' CA ' HD22 ' W' ' 531' ' ' LEU . 3.2 m -149.69 -173.74 4.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.305 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 537' ' ' MET . . . . . 0.447 ' SD ' ' CE1' ' W' ' 547' ' ' PHE . 0.0 OUTLIER -145.02 139.04 27.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.896 0.379 . . . . 0.0 111.072 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' W' W ' 538' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -148.96 154.15 38.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.719 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 539' ' ' VAL . . . . . 0.485 ' CA ' HG22 ' W' ' 545' ' ' THR . 7.6 p -96.93 133.32 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.325 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 540' ' ' ALA . . . . . 0.931 ' HB1' ' HD2' ' W' ' 541' ' ' PRO . . . -107.53 175.58 1.96 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.975 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 541' ' ' PRO . . . . . 0.931 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 73.7 Cg_endo -77.14 -20.24 12.98 Favored 'Trans proline' 0 N--CA 1.463 -0.288 0 C-N-CA 122.458 2.105 . . . . 0.0 112.019 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -51.17 -36.18 39.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.569 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 129.03 -12.61 6.09 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.911 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 544' ' ' ARG . . . . . 0.503 ' HG2' ' CH2' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.44 156.48 45.55 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.976 0.417 . . . . 0.0 111.453 -179.799 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' W' W ' 545' ' ' THR . . . . . 0.485 HG22 ' CA ' ' W' ' 539' ' ' VAL . 1.4 p -83.3 146.84 28.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.847 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 546' ' ' PHE . . . . . 0.78 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 7.0 p90 -120.57 -175.13 2.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.935 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 547' ' ' PHE . . . . . 0.622 ' CE2' HD23 ' W' ' 531' ' ' LEU . 3.1 m-85 -114.67 164.5 13.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.078 179.409 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 548' ' ' ILE . . . . . 0.784 HG12 HG22 ' W' ' 555' ' ' THR . 17.4 mt -132.82 107.35 11.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.306 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 549' ' ' ASP . . . . . 0.486 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 32.7 t0 -79.5 109.26 13.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.625 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 550' ' ' HIS . . . . . 0.414 ' HB2' ' HB3' ' W' ' 534' ' ' ARG . 31.5 m-70 -76.94 -20.25 56.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.414 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 551' ' ' ALA . . . . . 0.423 ' N ' ' HB3' ' W' ' 534' ' ' ARG . . . -67.8 -50.21 58.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.881 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.75 -16.21 19.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.214 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 74.92 53.49 0.08 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.894 0.378 . . . . 0.0 110.858 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 554' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' W' ' 549' ' ' ASP . 25.3 mtt-85 -143.35 -177.01 5.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.772 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 555' ' ' THR . . . . . 0.784 HG22 HG12 ' W' ' 548' ' ' ILE . 76.7 p -133.62 159.4 40.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.944 0.402 . . . . 0.0 111.321 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 556' ' ' THR . . . . . 0.471 ' N ' HD11 ' P' ' 229' ' ' LEU . 5.1 t -152.31 164.66 36.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.071 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 557' ' ' TRP . . . . . 0.503 ' CH2' ' HG2' ' W' ' 544' ' ' ARG . 24.7 m95 -88.05 -18.1 29.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.469 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 1.2 mp -100.77 147.97 7.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.909 0.385 . . . . 0.0 111.322 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 559' ' ' ASP . . . . . 0.495 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 2.6 p30 -95.78 145.0 28.78 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.117 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 560' ' ' PRO . . . . . 0.55 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 12.5 Cg_endo -83.14 -32.63 0.49 Allowed 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 122.45 2.1 . . . . 0.0 111.888 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.29 -24.29 27.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.93 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -136.3 -67.0 0.52 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.625 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.408 -179.953 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' P' P ' 228' ' ' GLY . . . . . 0.407 ' O ' ' HD3' ' P' ' 230' ' ' PRO . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 229' ' ' LEU . . . . . 0.471 HD11 ' N ' ' W' ' 556' ' ' THR . 0.4 OUTLIER -107.28 97.88 20.61 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-O 120.613 0.244 . . . . 0.0 110.994 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' P' P ' 230' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' P' ' 228' ' ' GLY . 63.2 Cg_exo -51.49 -172.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.629 2.219 . . . . 0.0 112.301 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.114 -179.881 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' W' W ' 531' ' ' LEU . . . . . 0.939 HD23 ' CE2' ' W' ' 547' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.118 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 532' ' ' PRO . . . . . 0.448 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 74.5 Cg_exo -49.13 -179.6 0.01 OUTLIER 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.348 2.032 . . . . 0.0 112.563 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 533' ' ' PRO . . . . . 0.448 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 86.4 Cg_exo -47.45 -40.34 29.14 Favored 'Trans proline' 0 CA--C 1.517 -0.37 0 C-N-CA 123.328 2.685 . . . . 0.0 115.262 -178.346 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 534' ' ' ARG . . . . . 0.413 ' HB3' ' HB2' ' W' ' 550' ' ' HIS . 7.7 mmm180 -130.35 61.89 1.59 Allowed 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.723 -178.097 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 535' ' ' TRP . . . . . 0.542 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 65.8 m95 -146.73 165.36 29.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.383 0.611 . . . . 0.0 112.609 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 536' ' ' SER . . . . . 0.738 ' HA ' HD13 ' W' ' 531' ' ' LEU . 3.5 m -153.51 -174.07 4.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.177 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 537' ' ' MET . . . . . 0.448 ' SD ' ' CE1' ' W' ' 547' ' ' PHE . 0.5 OUTLIER -142.06 144.2 33.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.873 0.368 . . . . 0.0 111.066 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' W' W ' 538' ' ' GLN . . . . . 0.437 ' HB3' ' CZ ' ' W' ' 546' ' ' PHE . 1.4 tp60 -158.77 140.44 13.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 539' ' ' VAL . . . . . 0.541 ' HA ' HG22 ' W' ' 545' ' ' THR . 11.7 p -87.95 127.07 41.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 540' ' ' ALA . . . . . 0.806 ' HB1' ' HD2' ' W' ' 541' ' ' PRO . . . -96.13 168.91 9.81 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 541' ' ' PRO . . . . . 0.806 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 60.2 Cg_endo -72.7 -23.12 19.78 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.615 2.21 . . . . 0.0 111.935 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -50.2 -41.15 49.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.753 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 135.17 -10.7 4.44 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.947 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 544' ' ' ARG . . . . . 0.487 ' HG3' ' CZ3' ' W' ' 557' ' ' TRP . 1.2 ptp180 -129.31 158.12 39.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.948 0.404 . . . . 0.0 111.221 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 545' ' ' THR . . . . . 0.541 HG22 ' HA ' ' W' ' 539' ' ' VAL . 0.6 OUTLIER -88.77 147.12 24.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.646 179.643 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' W' W ' 546' ' ' PHE . . . . . 0.744 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 3.3 p90 -119.51 177.58 4.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.085 0.469 . . . . 0.0 111.473 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 547' ' ' PHE . . . . . 0.939 ' CE2' HD23 ' W' ' 531' ' ' LEU . 0.4 OUTLIER -119.88 117.85 29.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.392 179.622 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' W' W ' 548' ' ' ILE . . . . . 0.43 ' O ' ' HA ' ' W' ' 535' ' ' TRP . 2.6 mp -81.56 136.07 23.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.557 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 549' ' ' ASP . . . . . 0.48 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 26.0 t70 -110.21 111.19 22.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.685 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 550' ' ' HIS . . . . . 0.413 ' HB2' ' HB3' ' W' ' 534' ' ' ARG . 9.7 m-70 -76.7 -28.82 56.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.11 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -52.91 -55.14 25.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.365 . . . . 0.0 111.095 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.94 -13.99 15.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.48 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 75.5 63.85 0.06 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.885 0.374 . . . . 0.0 110.692 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -144.77 -174.8 4.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.744 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 70.2 p -135.36 162.1 33.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.076 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 556' ' ' THR . . . . . 0.413 ' O ' ' HB2' ' W' ' 546' ' ' PHE . 4.2 t -160.26 159.27 31.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.273 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 557' ' ' TRP . . . . . 0.491 ' CE3' ' HB3' ' W' ' 546' ' ' PHE . 13.8 m95 -89.2 -10.95 45.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.851 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 1.3 mt -110.43 129.19 65.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.961 0.41 . . . . 0.0 111.446 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 559' ' ' ASP . . . . . 0.428 ' HA ' ' HD3' ' W' ' 560' ' ' PRO . 0.9 OUTLIER -71.07 142.62 87.72 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.017 -179.783 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' W' W ' 560' ' ' PRO . . . . . 0.542 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 11.1 Cg_endo -81.78 -32.45 0.83 Allowed 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.365 2.044 . . . . 0.0 111.909 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.46 -22.61 55.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.946 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -125.84 -65.81 0.97 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.617 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.302 -179.883 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.216 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' P' P ' 229' ' ' LEU . . . . . 0.438 ' HB2' ' NE1' ' W' ' 557' ' ' TRP . 40.1 tp -58.72 108.09 1.2 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.47 0.176 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -59.91 -153.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.367 2.045 . . . . 0.0 111.941 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 13.0 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.997 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' W' W ' 531' ' ' LEU . . . . . 0.739 HD22 ' CA ' ' W' ' 536' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.086 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 532' ' ' PRO . . . . . 0.499 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 71.0 Cg_exo -49.66 -177.76 0.01 OUTLIER 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.375 2.05 . . . . 0.0 112.378 -179.638 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 533' ' ' PRO . . . . . 0.499 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 56.2 Cg_exo -41.82 -48.35 5.99 Favored 'Trans proline' 0 CA--C 1.516 -0.389 0 C-N-CA 123.397 2.732 . . . . 0.0 115.206 -178.517 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 534' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -129.38 68.73 1.41 Allowed 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.079 -178.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 535' ' ' TRP . . . . . 0.56 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 64.7 m95 -148.03 155.44 41.5 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 536' ' ' SER . . . . . 0.739 ' CA ' HD22 ' W' ' 531' ' ' LEU . 4.8 m -152.33 -173.65 4.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.79 -1.095 . . . . 0.0 109.514 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 537' ' ' MET . . . . . 0.713 ' HG2' HD21 ' W' ' 531' ' ' LEU . 0.0 OUTLIER -159.14 130.05 6.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.087 0.47 . . . . 0.0 111.583 179.504 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' W' W ' 538' ' ' GLN . . . . . 0.582 ' HB2' HD11 ' W' ' 548' ' ' ILE . 1.3 mt-30 -133.69 145.26 49.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.288 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 539' ' ' VAL . . . . . 0.652 ' HA ' HG22 ' W' ' 545' ' ' THR . 12.9 p -75.49 129.85 36.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.954 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 540' ' ' ALA . . . . . 0.838 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -97.85 169.89 7.88 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.239 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 541' ' ' PRO . . . . . 0.798 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 73.3 Cg_endo -76.25 -21.88 13.2 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.553 2.169 . . . . 0.0 111.792 179.433 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -52.82 -49.01 66.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.83 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 148.69 -15.67 1.22 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.403 -0.904 . . . . 0.0 113.098 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 544' ' ' ARG . . . . . 0.5 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.29 152.29 50.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.0 0.429 . . . . 0.0 111.477 -179.76 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' W' W ' 545' ' ' THR . . . . . 0.652 HG22 ' HA ' ' W' ' 539' ' ' VAL . 0.8 OUTLIER -77.44 146.89 36.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.962 179.699 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' W' W ' 546' ' ' PHE . . . . . 0.838 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 7.6 p90 -121.21 167.67 12.44 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.145 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 547' ' ' PHE . . . . . 0.588 ' CE2' HD23 ' W' ' 531' ' ' LEU . 3.5 m-85 -108.33 126.5 52.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.079 0.466 . . . . 0.0 111.225 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 548' ' ' ILE . . . . . 0.582 HD11 ' HB2' ' W' ' 538' ' ' GLN . 3.1 mp -86.52 135.0 26.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.029 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 549' ' ' ASP . . . . . 0.479 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 41.3 t0 -115.02 106.5 14.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.656 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -76.43 -39.4 53.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.161 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -55.51 -28.23 53.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.182 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.92 -11.75 9.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.706 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 553' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' W' ' 549' ' ' ASP . 24.8 mmt85 65.21 37.76 6.34 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.763 0.316 . . . . 0.0 110.843 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -139.56 152.97 47.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 555' ' ' THR . . . . . 0.619 HG21 ' O ' ' P' ' 230' ' ' PRO . 60.6 p -103.76 168.83 8.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 556' ' ' THR . . . . . 0.629 ' HA ' HD21 ' P' ' 229' ' ' LEU . 1.5 t -158.86 157.01 30.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.055 0.455 . . . . 0.0 111.355 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 557' ' ' TRP . . . . . 0.5 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 17.3 m95 -80.63 -21.21 41.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.519 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 1.2 mt -103.58 143.52 15.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.92 0.39 . . . . 0.0 111.547 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 559' ' ' ASP . . . . . 0.429 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 3.0 p30 -87.91 145.82 37.41 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.981 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 560' ' ' PRO . . . . . 0.56 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 15.8 Cg_endo -84.6 -31.83 0.42 Allowed 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.565 2.177 . . . . 0.0 112.224 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.5 -23.32 6.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.047 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -137.93 -46.07 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.673 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.39 -179.725 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' P' P ' 229' ' ' LEU . . . . . 0.629 HD21 ' HA ' ' W' ' 556' ' ' THR . 16.0 tp 66.25 74.89 0.35 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.71 0.291 . . . . 0.0 111.076 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 230' ' ' PRO . . . . . 0.619 ' O ' HG21 ' W' ' 555' ' ' THR . 47.2 Cg_exo -55.82 95.08 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.579 2.186 . . . . 0.0 111.963 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.222 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 531' ' ' LEU . . . . . 0.86 HD22 ' HG3' ' W' ' 537' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.673 0 CA-C-O 120.677 0.275 . . . . 0.0 111.376 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 532' ' ' PRO . . . . . 0.463 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 53.8 Cg_exo -51.61 -175.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.521 2.147 . . . . 0.0 113.015 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 533' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 16.5 Cg_exo -72.19 -2.78 12.15 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 123.534 2.823 . . . . 0.0 115.048 -178.17 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 534' ' ' ARG . . . . . 0.445 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 13.6 mmt180 -149.14 39.77 0.85 Allowed 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 120.084 -0.647 . . . . 0.0 111.75 -178.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 535' ' ' TRP . . . . . 0.533 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 30.0 m95 -140.89 170.0 16.56 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.17 0.509 . . . . 0.0 112.097 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 536' ' ' SER . . . . . 0.844 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.1 OUTLIER -137.13 -158.88 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.29 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' W' W ' 537' ' ' MET . . . . . 0.86 ' HG3' HD22 ' W' ' 531' ' ' LEU . 20.0 mtp -159.15 132.33 7.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.925 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 538' ' ' GLN . . . . . 0.412 ' HG3' ' N ' ' W' ' 539' ' ' VAL . 0.4 OUTLIER -167.3 146.07 4.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.114 -179.839 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' W' W ' 539' ' ' VAL . . . . . 0.529 HG13 ' O ' ' W' ' 539' ' ' VAL . 7.6 p -88.31 111.76 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.622 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 540' ' ' ALA . . . . . 0.777 ' HB1' ' HD2' ' W' ' 541' ' ' PRO . . . -71.31 167.49 29.4 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.397 -179.49 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 541' ' ' PRO . . . . . 0.777 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 42.4 Cg_endo -67.51 -24.76 41.91 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.55 2.167 . . . . 0.0 111.673 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -52.68 -30.37 31.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.523 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 118.98 -10.42 11.99 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.025 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 544' ' ' ARG . . . . . 0.529 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 12.0 ptp180 -122.63 156.44 34.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.923 0.362 . . . . 0.0 111.075 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 545' ' ' THR . . . . . 0.435 ' HA ' ' HA ' ' W' ' 539' ' ' VAL . 1.2 p -80.98 145.44 31.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.797 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 546' ' ' PHE . . . . . 0.628 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 20.2 p90 -124.68 179.12 5.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.748 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 547' ' ' PHE . . . . . 0.522 ' CG ' ' HD3' ' W' ' 560' ' ' PRO . 0.7 OUTLIER -124.77 119.96 30.4 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.595 179.284 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' W' W ' 548' ' ' ILE . . . . . 0.461 ' CD1' ' HB3' ' W' ' 536' ' ' SER . 3.0 mt -78.97 136.49 23.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.512 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -106.21 103.23 12.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.09 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -71.57 -24.63 61.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.667 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -55.41 -37.33 67.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.9 15.83 3.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.504 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? 53.8 66.69 1.16 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.731 0.301 . . . . 0.0 111.04 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -146.79 -161.78 1.4 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.116 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 47.3 p -151.2 173.17 14.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.032 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 556' ' ' THR . . . . . 0.721 ' CA ' HD11 ' P' ' 229' ' ' LEU . 2.7 t -166.93 159.78 13.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.92 0.39 . . . . 0.0 111.482 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 557' ' ' TRP . . . . . 0.529 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 15.8 m95 -88.91 15.22 8.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.459 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.8 mm -130.92 138.64 53.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.003 0.43 . . . . 0.0 111.741 -178.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 559' ' ' ASP . . . . . 0.482 ' HA ' ' CD2' ' W' ' 547' ' ' PHE . 2.2 p30 -76.31 135.26 69.54 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.027 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 560' ' ' PRO . . . . . 0.533 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 74.1 Cg_endo -77.56 -30.75 3.76 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.595 2.197 . . . . 0.0 112.063 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.02 -28.04 35.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -135.87 -69.86 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 110.658 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.524 -179.895 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.609 -0.196 . . . . 0.0 112.609 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' P' P ' 229' ' ' LEU . . . . . 0.721 HD11 ' CA ' ' W' ' 556' ' ' THR . 18.2 tp 68.95 93.47 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.653 0.263 . . . . 0.0 110.888 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -57.31 -153.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.529 2.153 . . . . 0.0 111.869 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.349 . . . . 0.0 111.105 179.829 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' W' W ' 531' ' ' LEU . . . . . 0.72 HD23 ' CE2' ' W' ' 547' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.131 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 532' ' ' PRO . . . . . 0.484 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 85.6 Cg_exo -47.9 -179.29 0.01 OUTLIER 'Trans proline' 0 CA--C 1.531 0.361 0 C-N-CA 122.703 2.269 . . . . 0.0 113.329 -179.005 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 533' ' ' PRO . . . . . 0.484 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 87.1 Cg_exo -46.92 -44.09 23.21 Favored 'Trans proline' 0 CA--C 1.514 -0.501 0 C-N-CA 123.447 2.765 . . . . 0.0 114.946 -178.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 534' ' ' ARG . . . . . 0.47 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 17.2 mmm180 -122.8 65.87 0.96 Allowed 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.781 -178.07 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 535' ' ' TRP . . . . . 0.545 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 63.9 m95 -149.92 162.4 40.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.322 0.582 . . . . 0.0 112.273 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 536' ' ' SER . . . . . 0.684 ' HA ' HD13 ' W' ' 531' ' ' LEU . 3.8 m -154.66 -174.43 4.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.226 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 537' ' ' MET . . . . . 0.44 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 17.9 mtm -141.31 151.31 43.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.042 0.449 . . . . 0.0 111.402 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 538' ' ' GLN . . . . . 0.759 ' HB2' HD11 ' W' ' 548' ' ' ILE . 0.4 OUTLIER -165.41 138.54 4.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.494 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' W' W ' 539' ' ' VAL . . . . . 0.406 ' HA ' ' HA ' ' W' ' 545' ' ' THR . 13.3 p -78.48 139.97 17.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.884 0.374 . . . . 0.0 111.154 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 540' ' ' ALA . . . . . 0.864 ' HB1' ' HD2' ' W' ' 541' ' ' PRO . . . -110.19 171.49 4.34 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.176 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 541' ' ' PRO . . . . . 0.864 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 61.4 Cg_endo -73.39 -22.53 18.53 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.538 2.158 . . . . 0.0 111.824 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -51.79 -41.24 61.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.762 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 135.39 -12.55 4.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.593 -0.813 . . . . 0.0 113.009 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 544' ' ' ARG . . . . . 0.514 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 1.0 OUTLIER -131.24 158.12 41.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.97 0.414 . . . . 0.0 111.441 -179.841 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' W' W ' 545' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' W' ' 539' ' ' VAL . 0.2 OUTLIER -83.36 147.26 28.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.53 179.561 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' W' W ' 546' ' ' PHE . . . . . 0.817 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 4.2 p90 -119.61 -178.06 3.53 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.435 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 547' ' ' PHE . . . . . 0.72 ' CE2' HD23 ' W' ' 531' ' ' LEU . 1.4 m-85 -115.98 133.53 55.93 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.166 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 548' ' ' ILE . . . . . 0.759 HD11 ' HB2' ' W' ' 538' ' ' GLN . 4.1 mp -94.44 136.82 24.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.707 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 549' ' ' ASP . . . . . 0.421 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 28.5 t0 -115.71 112.88 22.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.969 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 550' ' ' HIS . . . . . 0.401 ' CD2' ' N ' ' W' ' 550' ' ' HIS . 6.5 m-70 -86.5 -27.63 23.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.746 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -55.88 -25.5 42.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.186 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 552' ' ' SER . . . . . 0.409 ' O ' ' HG3' ' W' ' 554' ' ' ARG . 0.3 OUTLIER -143.34 15.42 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.508 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? 49.21 72.25 0.31 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.837 0.351 . . . . 0.0 111.081 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 554' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' W' ' 552' ' ' SER . 2.9 mtt-85 -154.84 -167.51 2.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 555' ' ' THR . . . . . 0.429 HG21 ' O ' ' P' ' 230' ' ' PRO . 74.7 p -150.38 169.86 20.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.858 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 556' ' ' THR . . . . . 0.598 ' CA ' HD11 ' P' ' 229' ' ' LEU . 1.8 t -162.23 162.81 28.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.973 0.416 . . . . 0.0 111.198 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 557' ' ' TRP . . . . . 0.514 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 14.6 m95 -87.23 -19.62 28.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.811 -179.519 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.0 mm -109.57 139.33 33.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.979 0.418 . . . . 0.0 111.519 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 559' ' ' ASP . . . . . 0.436 ' HA ' ' HD3' ' W' ' 560' ' ' PRO . 0.8 OUTLIER -74.42 141.51 76.9 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.118 -179.588 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' W' W ' 560' ' ' PRO . . . . . 0.545 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 34.5 Cg_endo -86.19 -20.7 2.71 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 122.662 2.241 . . . . 0.0 112.233 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -49.41 -27.25 3.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.061 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -158.96 -43.01 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.733 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' P' P ' 229' ' ' LEU . . . . . 0.598 HD11 ' CA ' ' W' ' 556' ' ' THR . 16.7 tp 70.35 75.29 0.25 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 120.731 0.3 . . . . 0.0 111.289 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 230' ' ' PRO . . . . . 0.429 ' O ' HG21 ' W' ' 555' ' ' THR . 26.2 Cg_exo -62.29 113.13 1.78 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.671 2.247 . . . . 0.0 111.93 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.394 0 CA-C-O 120.981 0.42 . . . . 0.0 111.127 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' W' W ' 531' ' ' LEU . . . . . 0.619 HD13 ' HA ' ' W' ' 536' ' ' SER . 0.5 OUTLIER . . . . . 0 CA--C 1.531 0.227 0 CA-C-O 120.455 0.169 . . . . 0.0 110.767 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 532' ' ' PRO . . . . . 0.531 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 88.5 Cg_exo -47.37 179.22 0.01 OUTLIER 'Trans proline' 0 CA--C 1.532 0.424 0 C-N-CA 122.77 2.313 . . . . 0.0 112.62 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 533' ' ' PRO . . . . . 0.531 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 35.2 Cg_exo -35.85 -62.17 0.25 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.388 2.725 . . . . 0.0 114.602 -178.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 534' ' ' ARG . . . . . 0.48 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 19.8 mmt85 -115.69 71.92 0.79 Allowed 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.547 -179.212 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 535' ' ' TRP . . . . . 0.572 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 87.0 m95 -157.48 151.49 24.49 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.845 -179.305 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 536' ' ' SER . . . . . 0.619 ' HA ' HD13 ' W' ' 531' ' ' LEU . 3.4 m -147.81 -173.76 4.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.286 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 537' ' ' MET . . . . . 0.448 ' SD ' ' CE1' ' W' ' 547' ' ' PHE . 0.2 OUTLIER -143.53 127.73 17.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.95 0.405 . . . . 0.0 110.965 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' W' W ' 538' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -140.41 143.85 35.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.927 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' W' W ' 539' ' ' VAL . . . . . 0.463 ' HA ' HG22 ' W' ' 545' ' ' THR . 5.6 p -88.46 129.12 40.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.953 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 540' ' ' ALA . . . . . 0.874 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -102.56 172.59 4.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.22 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 541' ' ' PRO . . . . . 0.826 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 73.0 Cg_endo -76.63 -22.18 12.28 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.64 2.227 . . . . 0.0 112.054 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -50.03 -40.83 46.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.791 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 136.38 -14.16 3.99 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.979 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' W' W ' 544' ' ' ARG . . . . . 0.523 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 11.1 ptp180 -130.9 156.87 44.33 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.898 0.38 . . . . 0.0 111.264 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 545' ' ' THR . . . . . 0.463 HG22 ' HA ' ' W' ' 539' ' ' VAL . 0.8 OUTLIER -80.89 146.94 30.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.05 179.845 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' W' W ' 546' ' ' PHE . . . . . 0.874 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 7.9 p90 -125.93 158.7 34.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.198 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 547' ' ' PHE . . . . . 0.516 ' CE1' ' HB3' ' W' ' 559' ' ' ASP . 2.3 m-85 -93.48 157.2 16.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.253 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 548' ' ' ILE . . . . . 0.657 HG12 HG22 ' W' ' 555' ' ' THR . 10.8 mt -125.1 107.22 17.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.755 0.312 . . . . 0.0 111.455 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 549' ' ' ASP . . . . . 0.505 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 31.3 t0 -76.19 109.47 9.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.807 179.542 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 550' ' ' HIS . . . . . 0.411 ' CB ' ' HD3' ' W' ' 534' ' ' ARG . 22.4 m-70 -72.53 -15.8 61.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.382 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.64 -48.3 72.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.799 0.333 . . . . 0.0 111.034 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.05 17.68 10.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.203 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 48.86 51.08 16.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.827 0.346 . . . . 0.0 111.031 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -120.81 173.02 7.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.535 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' W' W ' 555' ' ' THR . . . . . 0.815 ' O ' HD21 ' P' ' 229' ' ' LEU . 27.0 p -135.52 152.02 50.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.038 0.447 . . . . 0.0 112.011 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 556' ' ' THR . . . . . 0.648 ' N ' HD11 ' P' ' 229' ' ' LEU . 2.5 t -147.87 158.14 43.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.813 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 557' ' ' TRP . . . . . 0.523 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 17.3 m95 -80.23 -11.56 59.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.96 -179.341 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 558' ' ' ILE . . . . . 0.401 HG22 ' N ' ' W' ' 559' ' ' ASP . 5.3 mm -112.89 154.17 14.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.063 0.459 . . . . 0.0 111.875 -179.049 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 559' ' ' ASP . . . . . 0.516 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 2.3 p30 -95.66 144.0 27.08 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.227 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 560' ' ' PRO . . . . . 0.572 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 28.3 Cg_endo -86.09 -25.16 1.49 Allowed 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.574 2.183 . . . . 0.0 112.21 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.33 -23.56 9.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.94 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -149.77 -50.59 0.14 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.491 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.388 -179.902 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.448 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' P' P ' 229' ' ' LEU . . . . . 0.815 HD21 ' O ' ' W' ' 555' ' ' THR . 4.3 tp 58.31 78.38 0.36 Allowed Pre-proline 0 C--N 1.327 -0.39 0 CA-C-O 120.695 0.283 . . . . 0.0 111.066 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -46.76 115.61 1.31 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.235 1.957 . . . . 0.0 111.752 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 93.7 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.379 -179.464 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' W' W ' 531' ' ' LEU . . . . . 0.725 HD13 ' O ' ' W' ' 535' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.467 0.408 0 CA-C-O 120.714 0.292 . . . . 0.0 111.781 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 532' ' ' PRO . . . . . 0.479 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 74.1 Cg_exo -50.26 -173.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.756 2.304 . . . . 0.0 113.11 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 533' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 22.4 Cg_exo -68.92 -12.0 33.28 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.394 2.729 . . . . 0.0 115.12 -178.157 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 534' ' ' ARG . . . . . 0.434 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 18.6 mmt85 -142.59 44.17 1.62 Allowed 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.412 -0.515 . . . . 0.0 111.892 -178.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 535' ' ' TRP . . . . . 0.725 ' O ' HD13 ' W' ' 531' ' ' LEU . 33.9 m95 -140.61 170.0 16.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.154 0.502 . . . . 0.0 112.312 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 536' ' ' SER . . . . . 0.427 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.1 OUTLIER -138.44 -159.96 1.01 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.54 179.849 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' W' W ' 537' ' ' MET . . . . . . . . . . . . . 64.2 mtp -149.77 120.31 7.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.555 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' W' W ' 538' ' ' GLN . . . . . 0.457 ' HB3' HD11 ' W' ' 548' ' ' ILE . 0.8 OUTLIER -148.89 138.47 21.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.958 0.409 . . . . 0.0 111.282 -179.614 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' W' W ' 539' ' ' VAL . . . . . 0.887 HG22 ' CG2' ' W' ' 545' ' ' THR . 26.0 t -82.71 130.56 35.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.66 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 540' ' ' ALA . . . . . 0.744 ' HB2' ' CD1' ' W' ' 546' ' ' PHE . . . -95.43 155.16 39.03 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.35 -179.502 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.55 -21.01 70.54 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.577 2.185 . . . . 0.0 112.039 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -54.24 -43.09 70.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.686 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 137.18 -11.51 3.85 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.052 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' W' W ' 544' ' ' ARG . . . . . 0.508 ' HG2' ' CE3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -128.26 144.77 51.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.911 0.386 . . . . 0.0 111.324 -179.845 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' W' W ' 545' ' ' THR . . . . . 0.887 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.2 OUTLIER -69.92 146.28 51.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.294 179.329 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' W' W ' 546' ' ' PHE . . . . . 0.744 ' CD1' ' HB2' ' W' ' 540' ' ' ALA . 25.2 p90 -124.14 173.48 8.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 547' ' ' PHE . . . . . 0.505 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.5 OUTLIER -117.35 122.58 44.26 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.008 179.815 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' W' W ' 548' ' ' ILE . . . . . 0.457 HD11 ' HB3' ' W' ' 538' ' ' GLN . 2.8 mp -83.09 142.39 13.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.873 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 549' ' ' ASP . . . . . 0.484 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 23.1 t70 -116.6 117.94 31.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.726 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 550' ' ' HIS . . . . . 0.424 ' CD2' ' N ' ' W' ' 550' ' ' HIS . 6.3 m170 -81.56 -30.47 33.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.062 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -49.02 -40.03 29.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.25 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.22 2.08 4.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.84 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 64.37 56.3 1.31 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.816 0.341 . . . . 0.0 111.07 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 62.1 mtm180 -134.43 -163.43 1.37 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.664 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' W' W ' 555' ' ' THR . . . . . 0.528 ' OG1' HD21 ' P' ' 229' ' ' LEU . 19.3 p -156.03 177.48 11.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.064 0.459 . . . . 0.0 111.479 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 556' ' ' THR . . . . . 0.461 ' N ' HD21 ' P' ' 229' ' ' LEU . 0.8 OUTLIER -167.46 160.17 12.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.998 179.731 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' W' W ' 557' ' ' TRP . . . . . 0.508 ' CE3' ' HG2' ' W' ' 544' ' ' ARG . 20.7 m95 -83.45 9.87 10.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.849 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.3 mm -132.14 148.11 32.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.885 0.374 . . . . 0.0 111.27 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' W' W ' 559' ' ' ASP . . . . . 0.426 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 0.8 OUTLIER -89.67 112.32 51.17 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.433 -179.42 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' W' W ' 560' ' ' PRO . . . . . 0.55 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 9.7 Cg_endo -54.16 -31.01 63.6 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.268 1.979 . . . . 0.0 111.651 179.572 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 561' ' ' ARG . . . . . 0.456 ' HD3' ' HA ' ' W' ' 531' ' ' LEU . 0.5 OUTLIER -64.91 -19.59 66.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.092 179.835 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -134.41 -69.16 0.53 Allowed 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.738 0.304 . . . . 0.0 110.977 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' W' W ' 563' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' W' ' 559' ' ' ASP . . . . . . . . 0 N--CA 1.45 -0.425 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.588 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.584 -0.207 . . . . 0.0 112.584 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' P' P ' 229' ' ' LEU . . . . . 0.613 HD12 ' HD2' ' P' ' 230' ' ' PRO . 31.5 tp -90.65 110.44 41.37 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.48 0.181 . . . . 0.0 110.9 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 230' ' ' PRO . . . . . 0.613 ' HD2' HD12 ' P' ' 229' ' ' LEU . 67.3 Cg_exo -39.94 -34.34 0.89 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.679 2.253 . . . . 0.0 112.489 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 231' ' ' SER . . . . . 0.405 ' HA ' ' OG1' ' W' ' 555' ' ' THR . 4.2 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.217 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' W' W ' 531' ' ' LEU . . . . . 0.617 HD13 ' HA ' ' W' ' 536' ' ' SER . 0.9 OUTLIER . . . . . 0 CA--C 1.529 0.171 0 N-CA-C 110.508 -0.182 . . . . 0.0 110.508 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 532' ' ' PRO . . . . . 0.516 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 53.3 Cg_exo -44.71 174.63 0.01 OUTLIER 'Trans proline' 0 CA--C 1.533 0.469 0 C-N-CA 122.854 2.369 . . . . 0.0 113.094 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 533' ' ' PRO . . . . . 0.516 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 59.3 Cg_exo -36.2 -59.34 0.42 Allowed 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.534 2.822 . . . . 0.0 115.068 -178.64 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 534' ' ' ARG . . . . . 0.475 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 7.5 mmm180 -116.67 69.87 0.76 Allowed 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.31 -178.349 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 535' ' ' TRP . . . . . 0.53 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 93.6 m95 -157.78 128.26 6.34 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.531 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 536' ' ' SER . . . . . 0.617 ' HA ' HD13 ' W' ' 531' ' ' LEU . 2.6 m -119.3 -173.54 2.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.81 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 537' ' ' MET . . . . . 0.456 ' HG2' ' CE1' ' W' ' 547' ' ' PHE . 45.9 mtm -133.65 144.54 49.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.689 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 538' ' ' GLN . . . . . 0.473 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 2.0 tp-100 -163.26 129.09 3.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.054 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 539' ' ' VAL . . . . . 0.546 ' HA ' HG22 ' W' ' 545' ' ' THR . 8.1 p -79.89 130.13 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.016 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 540' ' ' ALA . . . . . 0.835 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -102.22 160.91 24.96 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.355 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -64.55 -25.57 62.44 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.668 2.245 . . . . 0.0 111.24 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -49.41 -26.25 3.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.678 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 115.99 -8.85 18.65 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.882 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' W' W ' 544' ' ' ARG . . . . . 0.511 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.43 156.31 45.82 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.996 0.427 . . . . 0.0 111.192 -179.875 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' W' W ' 545' ' ' THR . . . . . 0.546 HG22 ' HA ' ' W' ' 539' ' ' VAL . 0.7 OUTLIER -85.34 146.65 26.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.785 179.668 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' W' W ' 546' ' ' PHE . . . . . 0.835 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 4.0 p90 -119.44 -175.96 3.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.04 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 547' ' ' PHE . . . . . 0.512 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.6 OUTLIER -125.63 129.32 49.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.428 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' W' W ' 548' ' ' ILE . . . . . 0.61 HG13 HG22 ' W' ' 555' ' ' THR . 3.0 mp -91.33 117.19 34.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.465 -179.236 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 549' ' ' ASP . . . . . 0.414 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 36.6 t0 -89.73 95.92 10.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.736 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -62.02 -32.68 73.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.146 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -57.48 -49.47 76.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.414 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.23 -6.19 28.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.772 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 64.91 48.87 2.25 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.867 0.365 . . . . 0.0 110.817 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -143.05 -162.5 1.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' W' W ' 555' ' ' THR . . . . . 0.864 ' O ' HD21 ' P' ' 229' ' ' LEU . 45.1 p -145.72 157.12 43.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.085 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 556' ' ' THR . . . . . 0.506 HG23 ' H ' ' W' ' 558' ' ' ILE . 15.1 t -146.87 164.07 34.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 557' ' ' TRP . . . . . 0.511 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 36.5 m95 -92.78 17.69 10.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.288 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 558' ' ' ILE . . . . . 0.506 ' H ' HG23 ' W' ' 556' ' ' THR . 5.2 mm -133.43 147.42 31.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.849 0.357 . . . . 0.0 111.369 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 559' ' ' ASP . . . . . 0.502 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 9.2 p30 -104.33 118.06 57.71 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.915 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 560' ' ' PRO . . . . . 0.53 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 10.6 Cg_endo -56.98 -25.53 63.3 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.5 2.133 . . . . 0.0 112.812 -179.613 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 561' ' ' ARG . . . . . 0.444 ' CG ' ' HB2' ' W' ' 559' ' ' ASP . 0.1 OUTLIER -50.31 -37.72 37.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.153 -179.657 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' W' W ' 562' ' ' ASN . . . . . 0.439 HD22 ' HD2' ' W' ' 561' ' ' ARG . 1.0 OUTLIER -149.57 20.85 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.368 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.282 0 C-N-CA 120.883 -0.675 . . . . 0.0 113.006 179.736 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.362 0 CA-C-O 120.368 -0.129 . . . . 0.0 113.133 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' P' P ' 229' ' ' LEU . . . . . 0.864 HD21 ' O ' ' W' ' 555' ' ' THR . 4.2 tp -48.9 102.9 0.33 Allowed Pre-proline 0 CA--C 1.529 0.14 0 CA-C-N 116.855 0.328 . . . . 0.0 111.217 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -66.36 101.9 0.55 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.59 2.193 . . . . 0.0 111.898 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 68.8 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.178 -179.698 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' W' W ' 531' ' ' LEU . . . . . 0.853 HD21 ' HG2' ' W' ' 537' ' ' MET . 1.5 mt . . . . . 0 CA--C 1.529 0.138 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 532' ' ' PRO . . . . . 0.547 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 80.3 Cg_exo -47.49 -179.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.799 2.333 . . . . 0.0 112.907 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 533' ' ' PRO . . . . . 0.547 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 20.5 Cg_exo -36.93 -57.52 0.64 Allowed 'Trans proline' 0 CA--C 1.515 -0.473 0 C-N-CA 123.518 2.812 . . . . 0.0 114.991 -178.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 534' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -123.26 71.07 1.05 Allowed 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.966 -178.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 535' ' ' TRP . . . . . 0.577 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 71.0 m95 -150.9 162.44 40.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.368 0.604 . . . . 0.0 112.513 -179.555 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 536' ' ' SER . . . . . 0.705 ' CA ' HD22 ' W' ' 531' ' ' LEU . 16.6 m -162.61 -171.69 2.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.696 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 537' ' ' MET . . . . . 0.853 ' HG2' HD21 ' W' ' 531' ' ' LEU . 0.0 OUTLIER -155.05 138.72 16.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.094 0.473 . . . . 0.0 111.559 179.66 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' W' W ' 538' ' ' GLN . . . . . 0.786 ' HB2' HD11 ' W' ' 548' ' ' ILE . 0.9 OUTLIER -146.37 149.6 34.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.537 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' W' W ' 539' ' ' VAL . . . . . 0.848 HG22 ' CG2' ' W' ' 545' ' ' THR . 19.7 t -79.41 137.56 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.098 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 540' ' ' ALA . . . . . 0.944 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -110.03 170.93 4.82 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.311 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 541' ' ' PRO . . . . . 0.834 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 60.8 Cg_endo -73.3 -23.23 17.95 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.651 2.234 . . . . 0.0 112.06 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -51.82 -41.26 61.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.775 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 134.44 -11.24 4.66 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.964 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 544' ' ' ARG . . . . . 0.522 ' HG3' ' CE3' ' W' ' 557' ' ' TRP . 0.3 OUTLIER -130.75 156.65 44.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.879 0.371 . . . . 0.0 111.14 -179.848 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' W' W ' 545' ' ' THR . . . . . 0.848 ' CG2' HG22 ' W' ' 539' ' ' VAL . 2.0 p -79.59 146.83 32.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 546' ' ' PHE . . . . . 0.944 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 9.1 p90 -126.29 153.54 44.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 547' ' ' PHE . . . . . 0.805 ' CE2' HD23 ' W' ' 531' ' ' LEU . 1.9 m-85 -94.01 132.29 38.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.962 0.41 . . . . 0.0 110.952 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 548' ' ' ILE . . . . . 0.786 HD11 ' HB2' ' W' ' 538' ' ' GLN . 3.4 mp -89.45 130.09 39.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 549' ' ' ASP . . . . . 0.479 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 38.1 t0 -107.47 109.7 21.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.777 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -84.94 -25.18 28.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.988 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -56.4 -42.07 77.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.009 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.46 -5.51 10.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.63 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 70.89 58.07 0.21 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.797 0.332 . . . . 0.0 110.892 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -144.26 -163.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.769 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 555' ' ' THR . . . . . 0.409 HG22 ' HA ' ' W' ' 548' ' ' ILE . 68.8 p -152.53 169.2 23.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.159 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 2.6 t -160.66 162.24 32.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.107 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 557' ' ' TRP . . . . . 0.522 ' CE3' ' HG3' ' W' ' 544' ' ' ARG . 14.7 m95 -83.59 -19.66 35.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.578 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 4.9 mm -110.74 145.83 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.93 0.395 . . . . 0.0 111.434 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 559' ' ' ASP . . . . . 0.509 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 9.7 p30 -82.81 145.51 50.4 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.298 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 560' ' ' PRO . . . . . 0.577 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 59.0 Cg_endo -91.55 10.94 2.55 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 122.991 2.461 . . . . 0.0 112.532 179.67 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.01 18.37 21.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.114 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 7.5 p30 177.61 -46.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.065 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.682 179.9 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' P' P ' 229' ' ' LEU . . . . . 0.407 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 0.4 OUTLIER -112.27 93.88 24.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.706 0.289 . . . . 0.0 110.884 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -58.95 102.66 0.15 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.564 2.176 . . . . 0.0 112.047 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 10.1 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.128 -179.831 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' W' W ' 531' ' ' LEU . . . . . 0.962 HD21 ' HG3' ' W' ' 537' ' ' MET . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.116 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 532' ' ' PRO . . . . . 0.461 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 71.1 Cg_exo -49.71 -174.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.442 2.095 . . . . 0.0 113.17 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 533' ' ' PRO . . . . . 0.461 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 22.0 Cg_exo -68.1 -4.74 13.16 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 123.254 2.636 . . . . 0.0 115.232 -177.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 534' ' ' ARG . . . . . 0.427 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 27.2 mmt85 -149.93 42.37 0.86 Allowed 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 120.142 -0.623 . . . . 0.0 111.713 -179.046 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 535' ' ' TRP . . . . . 0.515 ' CE2' ' HG3' ' W' ' 560' ' ' PRO . 37.9 m95 -140.36 168.14 20.51 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.422 0.63 . . . . 0.0 112.549 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 536' ' ' SER . . . . . 0.811 ' CA ' HD22 ' W' ' 531' ' ' LEU . 0.4 OUTLIER -155.14 -163.39 1.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.444 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' W' W ' 537' ' ' MET . . . . . 0.962 ' HG3' HD21 ' W' ' 531' ' ' LEU . 12.9 mtm -133.32 149.51 51.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 538' ' ' GLN . . . . . 0.572 ' HB2' HD11 ' W' ' 548' ' ' ILE . 1.6 tp60 -169.06 129.84 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.799 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 539' ' ' VAL . . . . . 0.667 HG22 ' CG2' ' W' ' 545' ' ' THR . 22.3 t -81.14 133.74 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.984 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 540' ' ' ALA . . . . . 0.778 ' HB2' ' CD1' ' W' ' 546' ' ' PHE . . . -104.07 151.49 38.98 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.194 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -59.46 -26.03 80.59 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.597 2.198 . . . . 0.0 111.688 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -49.63 -39.15 34.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.705 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 129.06 -6.1 6.41 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.739 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 544' ' ' ARG . . . . . 0.517 ' CD ' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.94 145.43 51.49 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.872 0.367 . . . . 0.0 111.118 -179.875 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' W' W ' 545' ' ' THR . . . . . 0.667 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.2 OUTLIER -72.29 146.16 47.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.425 179.306 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' W' W ' 546' ' ' PHE . . . . . 0.778 ' CD1' ' HB2' ' W' ' 540' ' ' ALA . 14.0 p90 -122.01 159.21 27.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.092 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 547' ' ' PHE . . . . . 0.589 ' CE2' HD23 ' W' ' 531' ' ' LEU . 0.5 OUTLIER -103.3 125.73 50.09 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.264 -179.674 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' W' W ' 548' ' ' ILE . . . . . 0.572 HD11 ' HB2' ' W' ' 538' ' ' GLN . 3.1 mt -83.74 149.48 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.753 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -127.31 106.27 9.1 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.165 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -75.99 -26.1 56.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.791 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -52.16 -32.65 36.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.657 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 552' ' ' SER . . . . . 0.403 ' O ' ' HG3' ' W' ' 554' ' ' ARG . 0.2 OUTLIER -137.6 13.36 2.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.166 179.735 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 9.0 mmt85 52.4 63.32 2.29 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.669 0.271 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 554' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' W' ' 552' ' ' SER . 29.2 mtp85 -147.15 -167.23 2.72 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.821 0.343 . . . . 0.0 111.456 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 555' ' ' THR . . . . . 0.402 ' OG1' ' HA ' ' P' ' 231' ' ' SER . 81.7 p -143.88 -175.8 4.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 556' ' ' THR . . . . . 0.464 ' HA ' HD21 ' P' ' 229' ' ' LEU . 0.9 OUTLIER -178.51 161.6 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.259 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' W' W ' 557' ' ' TRP . . . . . 0.579 ' CD2' HD13 ' P' ' 229' ' ' LEU . 19.1 m95 -85.56 11.47 10.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.756 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.4 mm -130.19 149.43 33.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.976 0.417 . . . . 0.0 111.697 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 559' ' ' ASP . . . . . 0.49 ' HB3' ' CD1' ' W' ' 547' ' ' PHE . 2.0 p30 -105.56 118.88 54.43 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.987 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 560' ' ' PRO . . . . . 0.515 ' HG3' ' CE2' ' W' ' 535' ' ' TRP . 9.0 Cg_endo -52.93 -35.25 70.25 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.23 1.953 . . . . 0.0 112.016 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -31.47 11.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.975 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -131.86 -66.03 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.363 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.729 -0.149 . . . . 0.0 112.729 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' P' P ' 229' ' ' LEU . . . . . 0.579 HD13 ' CD2' ' W' ' 557' ' ' TRP . 13.8 tp -113.02 82.02 5.04 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.69 0.281 . . . . 0.0 111.003 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_exo -44.34 100.8 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.624 2.216 . . . . 0.0 112.306 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 231' ' ' SER . . . . . 0.402 ' HA ' ' OG1' ' W' ' 555' ' ' THR . 2.0 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.265 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' W' W ' 531' ' ' LEU . . . . . 0.753 HD13 ' HA ' ' W' ' 536' ' ' SER . 4.3 mt . . . . . 0 CA--C 1.529 0.165 0 N-CA-C 110.421 -0.214 . . . . 0.0 110.421 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' W' W ' 532' ' ' PRO . . . . . 0.466 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 71.1 Cg_exo -49.76 -174.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.525 2.15 . . . . 0.0 113.348 -179.217 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 533' ' ' PRO . . . . . 0.466 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 24.6 Cg_exo -66.41 -12.84 37.38 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.323 2.682 . . . . 0.0 115.208 -178.067 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 534' ' ' ARG . . . . . 0.436 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 19.7 mmt85 -142.84 44.13 1.59 Allowed 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 120.261 -0.576 . . . . 0.0 111.825 -178.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 535' ' ' TRP . . . . . 0.534 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 43.0 m95 -140.94 167.89 21.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.337 0.589 . . . . 0.0 112.531 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 536' ' ' SER . . . . . 0.753 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.1 OUTLIER -146.54 -157.31 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.43 -179.893 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' W' W ' 537' ' ' MET . . . . . 0.447 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 28.2 mtm -147.36 144.38 28.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.842 0.353 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 538' ' ' GLN . . . . . 0.404 ' O ' ' CD1' ' W' ' 546' ' ' PHE . 1.9 tp-100 -165.62 133.35 2.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.136 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 539' ' ' VAL . . . . . 0.592 HG22 ' CG2' ' W' ' 545' ' ' THR . 2.8 t -82.08 135.58 24.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.687 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 540' ' ' ALA . . . . . 0.877 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -108.89 158.59 33.75 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.286 -179.562 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 541' ' ' PRO . . . . . 0.462 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 36.7 Cg_endo -65.12 -21.76 62.43 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.479 2.12 . . . . 0.0 111.829 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -49.63 -43.4 46.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.833 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 137.91 -14.09 3.59 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.688 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' W' W ' 544' ' ' ARG . . . . . 0.509 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.58 157.11 44.49 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.993 0.425 . . . . 0.0 111.272 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' W' W ' 545' ' ' THR . . . . . 0.592 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.6 OUTLIER -79.09 146.15 33.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.224 179.418 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' W' W ' 546' ' ' PHE . . . . . 0.877 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 9.2 p90 -118.06 173.23 6.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.024 0.44 . . . . 0.0 111.33 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 547' ' ' PHE . . . . . 0.495 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.6 OUTLIER -116.42 127.49 54.65 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.196 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' W' W ' 548' ' ' ILE . . . . . 0.621 HG13 HG22 ' W' ' 555' ' ' THR . 2.7 mp -87.22 145.74 7.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.443 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -122.9 109.12 13.75 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.954 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -73.18 -32.46 64.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.973 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -49.78 -48.16 50.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.016 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.5 -1.95 14.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.606 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 62.89 62.53 1.04 Allowed 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.661 0.267 . . . . 0.0 110.911 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -150.32 -167.52 2.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.017 0.436 . . . . 0.0 111.275 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' W' W ' 555' ' ' THR . . . . . 0.782 ' OG1' HD11 ' P' ' 229' ' ' LEU . 37.5 p -140.77 176.56 8.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 556' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' W' ' 546' ' ' PHE . 0.2 OUTLIER -170.29 165.87 8.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.433 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' W' W ' 557' ' ' TRP . . . . . 0.509 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 20.0 m95 -92.09 19.55 6.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.308 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.3 mm -132.55 149.48 32.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.977 0.418 . . . . 0.0 111.646 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' W' W ' 559' ' ' ASP . . . . . 0.482 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 12.3 p30 -104.53 113.4 65.08 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.811 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 560' ' ' PRO . . . . . 0.534 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 5.3 Cg_endo -50.91 -26.92 19.33 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.286 1.991 . . . . 0.0 112.278 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 561' ' ' ARG . . . . . 0.43 ' CG ' ' HB2' ' W' ' 559' ' ' ASP . 0.3 OUTLIER -61.97 -23.2 66.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.995 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' W' W ' 562' ' ' ASN . . . . . 0.407 ' ND2' ' OD2' ' W' ' 559' ' ' ASP . 5.5 m-20 -132.99 -60.14 0.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.716 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.597 179.938 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' P' P ' 229' ' ' LEU . . . . . 0.782 HD11 ' OG1' ' W' ' 555' ' ' THR . 1.7 tm? -99.0 106.55 38.74 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.541 0.21 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -70.16 109.3 2.35 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.638 2.225 . . . . 0.0 111.912 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 88.1 p . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 -179.73 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' W' W ' 531' ' ' LEU . . . . . 0.614 HD13 ' HA ' ' W' ' 536' ' ' SER . 1.4 mt . . . . . 0 CA--C 1.531 0.225 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' W' W ' 532' ' ' PRO . . . . . 0.467 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 75.7 Cg_exo -49.64 -174.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.483 2.122 . . . . 0.0 113.397 -179.135 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' W' W ' 533' ' ' PRO . . . . . 0.467 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 23.8 Cg_exo -67.36 -12.66 36.62 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.45 2.767 . . . . 0.0 115.122 -178.082 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' W' W ' 534' ' ' ARG . . . . . 0.438 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 24.3 mmt180 -141.89 42.05 1.69 Allowed 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 120.341 -0.544 . . . . 0.0 111.754 -178.697 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' W' W ' 535' ' ' TRP . . . . . 0.545 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 39.6 m95 -140.59 169.1 18.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.272 0.558 . . . . 0.0 112.337 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' W' W ' 536' ' ' SER . . . . . 0.614 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.1 OUTLIER -147.12 -159.37 1.02 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.65 -179.842 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' W' W ' 537' ' ' MET . . . . . 0.404 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 15.8 mtp -144.32 140.8 29.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.634 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' W' W ' 538' ' ' GLN . . . . . 0.465 ' O ' ' CD1' ' W' ' 546' ' ' PHE . 46.0 tt0 -165.71 136.27 3.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.237 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' W' W ' 539' ' ' VAL . . . . . 0.638 HG22 ' CG2' ' W' ' 545' ' ' THR . 4.8 t -84.39 127.32 39.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.745 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' W' W ' 540' ' ' ALA . . . . . 0.559 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -92.81 151.44 40.84 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.428 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' W' W ' 541' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' P' ' 230' ' ' PRO . 19.7 Cg_endo -58.3 -22.64 58.7 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.547 2.165 . . . . 0.0 111.78 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -54.56 -29.95 52.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.685 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 120.55 -4.36 12.03 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.765 -0.731 . . . . 0.0 113.005 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' W' W ' 544' ' ' ARG . . . . . 0.518 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.7 OUTLIER -131.18 157.01 44.34 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.012 0.434 . . . . 0.0 111.18 -179.862 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' W' W ' 545' ' ' THR . . . . . 0.638 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.2 OUTLIER -84.38 146.5 27.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.661 179.479 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' W' W ' 546' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 5.3 p90 -121.6 -179.36 4.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.012 0.434 . . . . 0.0 111.233 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' W' W ' 547' ' ' PHE . . . . . 0.489 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.5 OUTLIER -124.17 118.84 27.78 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.677 179.762 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' W' W ' 548' ' ' ILE . . . . . 0.548 ' HA ' HG22 ' W' ' 555' ' ' THR . 3.2 mt -79.93 147.06 6.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.395 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -126.87 115.76 19.8 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.877 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -81.39 -30.48 33.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.057 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -50.6 -37.57 40.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.11 -4.21 7.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.529 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 65.81 59.83 0.72 Allowed 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.637 0.256 . . . . 0.0 110.811 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 53.5 mtm180 -149.76 -166.8 2.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.257 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' W' W ' 555' ' ' THR . . . . . 0.548 HG22 ' HA ' ' W' ' 548' ' ' ILE . 53.2 p -143.76 178.72 7.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -171.89 166.12 6.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.342 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' W' W ' 557' ' ' TRP . . . . . 0.518 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 24.0 m95 -92.0 19.78 6.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.508 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' W' W ' 558' ' ' ILE . . . . . 0.422 ' CG2' ' HA2' ' W' ' 563' ' ' GLY . 5.7 mm -133.26 141.8 43.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.048 0.451 . . . . 0.0 112.048 -178.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' W' W ' 559' ' ' ASP . . . . . 0.421 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 3.4 m-20 -91.82 110.1 41.42 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.79 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' W' W ' 560' ' ' PRO . . . . . 0.545 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 5.2 Cg_endo -51.5 -25.76 20.1 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.073 1.849 . . . . 0.0 111.832 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -22.25 66.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.918 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -138.51 -69.21 0.44 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.665 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' W' W ' 563' ' ' GLY . . . . . 0.422 ' HA2' ' CG2' ' W' ' 558' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.51 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.577 -0.209 . . . . 0.0 112.577 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' P' P ' 229' ' ' LEU . . . . . 0.497 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 0.9 OUTLIER -101.75 104.37 34.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.501 0.191 . . . . 0.0 111.03 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' P' P ' 230' ' ' PRO . . . . . 0.424 ' CG ' ' HD2' ' W' ' 541' ' ' PRO . 22.7 Cg_exo -64.08 96.05 0.21 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.43 2.087 . . . . 0.0 111.698 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 16.5 p . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.478 -179.526 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' W' W ' 531' ' ' LEU . . . . . 0.702 HD13 ' HA ' ' W' ' 536' ' ' SER . 3.9 mt . . . . . 0 C--O 1.231 0.1 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' W' W ' 532' ' ' PRO . . . . . 0.491 ' HB2' ' CD1' ' W' ' 535' ' ' TRP . 77.4 Cg_exo -49.69 -176.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.329 2.02 . . . . 0.0 112.942 -179.275 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' W' W ' 533' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 19.0 Cg_exo -70.03 -2.47 10.43 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 123.26 2.64 . . . . 0.0 115.142 -177.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' W' W ' 534' ' ' ARG . . . . . 0.431 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 16.2 mmt180 -150.5 39.52 0.73 Allowed 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 120.089 -0.645 . . . . 0.0 111.709 -179.142 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' W' W ' 535' ' ' TRP . . . . . 0.545 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 31.9 m95 -138.82 169.66 17.4 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' W' W ' 536' ' ' SER . . . . . 0.702 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.1 OUTLIER -144.12 -158.5 0.89 Allowed 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.44 -179.884 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' W' W ' 537' ' ' MET . . . . . 0.441 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 34.5 mtp -143.5 145.75 32.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.607 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' W' W ' 538' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -169.2 134.1 1.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 0.0 111.408 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' W' W ' 539' ' ' VAL . . . . . 0.653 HG22 ' CG2' ' W' ' 545' ' ' THR . 11.7 t -85.67 125.62 40.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.577 179.373 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' W' W ' 540' ' ' ALA . . . . . 0.775 ' HB2' ' CD1' ' W' ' 546' ' ' PHE . . . -96.73 148.68 34.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.567 -179.203 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -56.69 -24.38 54.42 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.602 2.201 . . . . 0.0 111.723 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -48.09 -44.65 31.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.854 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 140.03 -16.32 3.01 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.722 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' W' W ' 544' ' ' ARG . . . . . 0.482 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -128.29 154.39 45.96 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.009 0.433 . . . . 0.0 111.253 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' W' W ' 545' ' ' THR . . . . . 0.653 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.8 OUTLIER -75.14 144.75 42.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.411 179.588 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' W' W ' 546' ' ' PHE . . . . . 0.775 ' CD1' ' HB2' ' W' ' 540' ' ' ALA . 13.0 p90 -119.97 162.6 18.93 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' W' W ' 547' ' ' PHE . . . . . 0.459 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.5 OUTLIER -109.35 127.45 54.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.148 -179.747 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' W' W ' 548' ' ' ILE . . . . . 0.522 HG13 HG22 ' W' ' 555' ' ' THR . 2.7 mp -86.74 143.88 10.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.366 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' W' W ' 549' ' ' ASP . . . . . 0.444 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 26.0 t70 -123.66 114.23 19.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.171 -179.27 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -78.76 -34.4 45.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.063 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -49.57 -36.37 23.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.014 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.64 -3.11 8.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.603 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 25.5 mmt85 61.26 58.83 2.08 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.734 0.302 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -149.58 -171.22 3.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 0.0 111.209 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' W' W ' 555' ' ' THR . . . . . 0.522 HG22 HG13 ' W' ' 548' ' ' ILE . 43.0 p -141.59 174.69 10.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.242 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' W' W ' 556' ' ' THR . . . . . 0.467 HG23 ' H ' ' W' ' 558' ' ' ILE . 9.3 t -168.69 168.22 10.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.279 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' W' W ' 557' ' ' TRP . . . . . 0.488 ' CE2' ' HB2' ' P' ' 229' ' ' LEU . 27.7 m95 -91.6 20.51 5.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.293 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' W' W ' 558' ' ' ILE . . . . . 0.467 ' H ' HG23 ' W' ' 556' ' ' THR . 5.4 mm -133.23 139.18 49.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.042 0.449 . . . . 0.0 111.917 -179.06 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' W' W ' 559' ' ' ASP . . . . . 0.431 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 3.2 m-20 -93.57 113.77 61.17 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.282 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' W' W ' 560' ' ' PRO . . . . . 0.545 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 7.7 Cg_endo -52.94 -25.9 29.61 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 121.936 1.757 . . . . 0.0 111.692 179.489 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' W' W ' 561' ' ' ARG . . . . . 0.411 ' CG ' ' HB3' ' W' ' 559' ' ' ASP . 0.5 OUTLIER -60.78 -26.39 67.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.593 179.694 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -134.3 -68.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.75 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.395 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.464 -179.894 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' P' P ' 228' ' ' GLY . . . . . 0.411 ' O ' ' HD3' ' P' ' 230' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.327 -0.309 . . . . 0.0 112.327 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 229' ' ' LEU . . . . . 0.488 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 3.5 tp -111.62 87.67 8.39 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.627 0.251 . . . . 0.0 110.977 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 230' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' P' ' 228' ' ' GLY . 52.7 Cg_exo -51.54 101.22 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.316 2.01 . . . . 0.0 111.735 179.583 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 231' ' ' SER . . . . . 0.406 ' HA ' ' OG1' ' W' ' 555' ' ' THR . 52.5 p . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.038 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' W' W ' 531' ' ' LEU . . . . . 0.652 HD13 ' HA ' ' W' ' 536' ' ' SER . 2.2 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.548 0.213 . . . . 0.0 110.595 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' W' W ' 532' ' ' PRO . . . . . 0.466 ' HB2' ' CD1' ' W' ' 535' ' ' TRP . 75.2 Cg_exo -50.23 -174.23 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.415 2.077 . . . . 0.0 113.057 -179.542 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' W' W ' 533' ' ' PRO . . . . . 0.465 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 22.0 Cg_exo -68.77 -13.18 36.43 Favored 'Trans proline' 0 CA--C 1.518 -0.299 0 C-N-CA 123.313 2.675 . . . . 0.0 115.154 -178.197 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' W' W ' 534' ' ' ARG . . . . . 0.438 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 11.3 mmt180 -142.82 45.33 1.59 Allowed 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 120.263 -0.575 . . . . 0.0 111.788 -178.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' W' W ' 535' ' ' TRP . . . . . 0.539 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 38.5 m95 -141.8 169.54 17.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.211 0.529 . . . . 0.0 112.383 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' W' W ' 536' ' ' SER . . . . . 0.652 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.1 OUTLIER -145.81 -158.87 0.94 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.412 179.879 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' W' W ' 537' ' ' MET . . . . . 0.444 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 27.4 mtp -145.52 146.76 31.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.833 0.349 . . . . 0.0 110.958 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' W' W ' 538' ' ' GLN . . . . . 0.469 ' HG2' ' CZ ' ' W' ' 546' ' ' PHE . 15.9 tt0 -168.95 137.32 2.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.961 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' W' W ' 539' ' ' VAL . . . . . 0.834 HG22 ' CG2' ' W' ' 545' ' ' THR . 31.8 t -85.88 130.35 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.86 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' W' W ' 540' ' ' ALA . . . . . 0.805 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -100.36 148.52 35.04 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.355 -179.67 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.11 -22.73 65.68 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.513 2.142 . . . . 0.0 111.547 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -49.5 -43.77 45.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.745 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 140.18 -14.19 3.03 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.692 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' W' W ' 544' ' ' ARG . . . . . 0.502 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.15 155.19 47.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.953 0.406 . . . . 0.0 111.235 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' W' W ' 545' ' ' THR . . . . . 0.834 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.5 OUTLIER -78.08 146.4 35.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.097 179.179 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' W' W ' 546' ' ' PHE . . . . . 0.805 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 5.9 p90 -119.11 166.03 13.42 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.043 0.449 . . . . 0.0 111.137 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' W' W ' 547' ' ' PHE . . . . . 0.555 ' CZ ' HD22 ' W' ' 531' ' ' LEU . 0.3 OUTLIER -111.01 123.01 49.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.371 -179.463 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' W' W ' 548' ' ' ILE . . . . . . . . . . . . . 3.1 mt -83.27 144.35 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.371 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' W' W ' 549' ' ' ASP . . . . . 0.456 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 58.7 t0 -123.37 115.71 22.09 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.792 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -79.58 -29.65 41.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -52.28 -46.1 65.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.62 -4.77 13.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.513 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 65.02 49.45 2.06 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.782 0.325 . . . . 0.0 110.956 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 10.3 mtp85 -141.43 -172.45 3.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.963 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' W' W ' 555' ' ' THR . . . . . 0.452 ' OG1' HD21 ' P' ' 229' ' ' LEU . 52.8 p -135.87 -176.84 4.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.863 0.363 . . . . 0.0 111.432 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -174.48 166.1 3.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.157 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' W' W ' 557' ' ' TRP . . . . . 0.502 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 22.2 m95 -91.29 19.25 6.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.418 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 4.9 mm -132.5 140.21 48.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.001 0.429 . . . . 0.0 111.826 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' W' W ' 559' ' ' ASP . . . . . 0.515 ' HB3' ' CE2' ' W' ' 547' ' ' PHE . 21.5 p30 -94.06 110.78 50.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' W' W ' 560' ' ' PRO . . . . . 0.539 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 5.0 Cg_endo -50.89 -31.36 33.52 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.212 1.942 . . . . 0.0 112.217 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.13 -22.39 28.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.015 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' W' W ' 562' ' ' ASN . . . . . 0.42 ' ND2' ' OD2' ' W' ' 559' ' ' ASP . 3.3 m-20 -136.63 -65.6 0.55 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.858 0.361 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.534 -179.92 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' P' P ' 228' ' ' GLY . . . . . 0.402 ' O ' ' HD3' ' P' ' 230' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.562 -0.215 . . . . 0.0 112.562 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 229' ' ' LEU . . . . . 0.501 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 1.0 OUTLIER -110.17 91.48 11.46 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.732 0.301 . . . . 0.0 111.026 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' P' P ' 230' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' P' ' 228' ' ' GLY . 76.9 Cg_exo -49.48 91.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.54 2.16 . . . . 0.0 111.776 179.548 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.403 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' W' W ' 531' ' ' LEU . . . . . 0.706 HD13 ' HA ' ' W' ' 536' ' ' SER . 4.0 mt . . . . . 0 C--O 1.231 0.126 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' W' W ' 532' ' ' PRO . . . . . 0.498 ' HB2' ' CD1' ' W' ' 535' ' ' TRP . 74.6 Cg_exo -49.72 -176.76 0.01 OUTLIER 'Trans proline' 0 CA--C 1.53 0.309 0 C-N-CA 122.322 2.015 . . . . 0.0 113.31 -178.681 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' W' W ' 533' ' ' PRO . . . . . 0.419 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 19.1 Cg_exo -70.01 -2.99 11.28 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 123.472 2.781 . . . . 0.0 115.159 -177.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' W' W ' 534' ' ' ARG . . . . . 0.439 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 5.7 mmt180 -149.85 40.08 0.8 Allowed 'General case' 0 C--N 1.314 -0.939 0 C-N-CA 120.23 -0.588 . . . . 0.0 111.511 -179.133 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' W' W ' 535' ' ' TRP . . . . . 0.517 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 30.1 m95 -140.22 169.29 17.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.391 0.615 . . . . 0.0 112.467 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' W' W ' 536' ' ' SER . . . . . 0.706 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.2 OUTLIER -146.29 -160.87 1.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.291 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' W' W ' 537' ' ' MET . . . . . 0.458 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 37.2 mtp -142.29 136.78 30.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.67 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' W' W ' 538' ' ' GLN . . . . . 0.475 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 1.4 tp60 -159.61 129.07 5.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.122 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' W' W ' 539' ' ' VAL . . . . . 0.952 HG22 ' CG2' ' W' ' 545' ' ' THR . 21.4 t -79.45 131.51 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.707 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' W' W ' 540' ' ' ALA . . . . . 0.79 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -99.21 151.9 37.58 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -60.85 -23.49 76.96 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.458 2.105 . . . . 0.0 111.41 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' W' W ' 542' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' P' ' 228' ' ' GLY . 58.7 t30 -48.77 -38.89 23.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.703 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 132.3 -11.23 5.29 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.645 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' W' W ' 544' ' ' ARG . . . . . 0.5 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.2 156.34 45.51 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.988 0.423 . . . . 0.0 111.136 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' W' W ' 545' ' ' THR . . . . . 0.952 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.6 OUTLIER -83.12 146.46 28.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.517 179.628 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' W' W ' 546' ' ' PHE . . . . . 0.79 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 5.3 p90 -119.38 -178.4 3.59 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' W' W ' 547' ' ' PHE . . . . . 0.51 ' CZ ' HD22 ' W' ' 531' ' ' LEU . 0.5 OUTLIER -124.48 124.17 41.72 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.886 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' W' W ' 548' ' ' ILE . . . . . 0.537 ' HA ' HG22 ' W' ' 555' ' ' THR . 2.9 mp -85.1 146.52 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.553 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -123.76 113.02 18.02 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.813 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' W' W ' 550' ' ' HIS . . . . . 0.413 ' CD2' ' N ' ' W' ' 550' ' ' HIS . 6.9 m170 -77.99 -32.11 51.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.027 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -48.56 -41.75 31.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' W' W ' 552' ' ' SER . . . . . 0.413 ' HB3' ' NE ' ' W' ' 554' ' ' ARG . 0.1 OUTLIER -122.65 1.68 9.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.531 179.787 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 60.63 60.79 1.85 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.777 0.323 . . . . 0.0 110.941 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' W' W ' 554' ' ' ARG . . . . . 0.413 ' NE ' ' HB3' ' W' ' 552' ' ' SER . 49.9 mtm180 -146.89 -167.04 2.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.723 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' W' W ' 555' ' ' THR . . . . . 0.537 HG22 ' HA ' ' W' ' 548' ' ' ILE . 63.6 p -146.05 178.74 7.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.829 0.347 . . . . 0.0 110.931 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' W' W ' 556' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' W' ' 546' ' ' PHE . 0.0 OUTLIER -171.75 164.13 6.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.318 179.846 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' W' W ' 557' ' ' TRP . . . . . 0.5 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 20.6 m95 -87.89 16.53 5.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.539 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.0 mm -128.58 142.4 44.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.057 0.456 . . . . 0.0 111.686 -178.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' W' W ' 559' ' ' ASP . . . . . 0.448 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 1.3 m-20 -98.84 110.68 58.33 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.97 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' W' W ' 560' ' ' PRO . . . . . 0.517 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 3.3 Cg_endo -49.32 -34.33 31.62 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.88 1.72 . . . . 0.0 111.263 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.7 -28.37 33.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.587 179.503 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -130.07 -68.12 0.72 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.045 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.424 -179.942 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' P' P ' 228' ' ' GLY . . . . . 0.417 ' O ' ' HD3' ' P' ' 230' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 229' ' ' LEU . . . . . 0.487 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 0.5 OUTLIER -109.51 81.26 1.77 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.617 0.246 . . . . 0.0 111.351 -179.891 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' P' P ' 230' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' P' ' 228' ' ' GLY . 79.7 Cg_exo -43.43 100.48 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.419 2.079 . . . . 0.0 111.749 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.268 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' W' W ' 531' ' ' LEU . . . . . 0.759 HD21 ' HG3' ' W' ' 537' ' ' MET . 10.0 mt . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 120.452 0.167 . . . . 0.0 110.564 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' W' W ' 532' ' ' PRO . . . . . 0.504 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 23.3 Cg_exo -41.45 170.94 0.01 OUTLIER 'Trans proline' 0 CA--C 1.534 0.486 0 C-N-CA 123.269 2.646 . . . . 0.0 113.307 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' W' W ' 533' ' ' PRO . . . . . 0.504 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 35.9 Cg_exo -31.52 -62.61 0.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 123.871 3.047 . . . . 0.0 115.03 -178.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' W' W ' 534' ' ' ARG . . . . . 0.476 ' O ' ' CG ' ' W' ' 535' ' ' TRP . 10.1 mmm180 -116.82 70.73 0.78 Allowed 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.343 -178.663 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' W' W ' 535' ' ' TRP . . . . . 0.532 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 96.3 m95 -159.81 153.7 23.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.818 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' W' W ' 536' ' ' SER . . . . . 0.74 ' HA ' HD13 ' W' ' 531' ' ' LEU . 3.5 m -154.84 -174.35 4.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.829 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' W' W ' 537' ' ' MET . . . . . 0.759 ' HG3' HD21 ' W' ' 531' ' ' LEU . 3.9 mtm -124.26 150.18 45.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.74 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' W' W ' 538' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -168.09 141.62 3.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.076 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 12.9 p -87.52 136.98 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.82 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' W' W ' 540' ' ' ALA . . . . . 0.795 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -109.02 157.09 37.92 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.241 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -62.0 -30.43 83.15 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.64 2.227 . . . . 0.0 111.879 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -48.99 -34.23 12.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.906 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 124.8 -3.92 8.57 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.654 -0.784 . . . . 0.0 113.2 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' W' W ' 544' ' ' ARG . . . . . 0.525 ' HG3' ' CE3' ' W' ' 557' ' ' TRP . 2.4 ptt180 -130.84 152.21 50.43 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 117.036 0.418 . . . . 0.0 111.153 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.64 146.88 32.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.048 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' W' W ' 546' ' ' PHE . . . . . 0.795 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 23.0 p90 -128.96 168.7 15.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' W' W ' 547' ' ' PHE . . . . . 0.517 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.9 OUTLIER -102.62 150.71 23.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.377 179.176 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' W' W ' 548' ' ' ILE . . . . . 0.418 ' HB ' ' HB2' ' W' ' 536' ' ' SER . 4.7 mt -107.41 109.42 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.32 -0.4 . . . . 0.0 112.016 -179.03 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' W' W ' 549' ' ' ASP . . . . . 0.472 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 17.1 t70 -83.18 105.8 14.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.89 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' W' W ' 550' ' ' HIS . . . . . 0.409 ' HB2' ' HB3' ' W' ' 534' ' ' ARG . 25.6 m80 -75.03 -26.05 59.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.794 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -53.34 -34.01 55.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' W' W ' 552' ' ' SER . . . . . 0.4 ' O ' ' HG3' ' W' ' 554' ' ' ARG . 0.2 OUTLIER -136.91 18.53 3.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.279 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? 49.15 49.32 19.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.849 0.357 . . . . 0.0 111.034 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' W' W ' 554' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' W' ' 552' ' ' SER . 6.1 mtp180 -126.58 -176.72 3.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' W' W ' 555' ' ' THR . . . . . 0.52 HG21 ' CE2' ' W' ' 546' ' ' PHE . 20.0 p -135.57 170.69 15.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.1 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' W' W ' 556' ' ' THR . . . . . 0.513 ' N ' HD11 ' P' ' 229' ' ' LEU . 0.2 OUTLIER -165.94 157.99 14.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.368 . . . . 0.0 111.256 -179.839 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' W' W ' 557' ' ' TRP . . . . . 0.525 ' CE3' ' HG3' ' W' ' 544' ' ' ARG . 16.8 m95 -84.31 11.86 7.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.072 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' W' W ' 558' ' ' ILE . . . . . 0.406 HG22 ' N ' ' W' ' 559' ' ' ASP . 4.9 mm -132.1 156.29 42.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.891 0.377 . . . . 0.0 111.673 -179.088 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' W' W ' 559' ' ' ASP . . . . . 0.499 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 2.5 p30 -114.66 134.05 22.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.178 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' W' W ' 560' ' ' PRO . . . . . 0.532 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 45.2 Cg_endo -72.38 -3.05 12.67 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.446 2.097 . . . . 0.0 112.702 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' W' W ' 561' ' ' ARG . . . . . 0.432 ' HG2' ' CD ' ' W' ' 532' ' ' PRO . 7.1 mtm180 -80.85 -34.75 33.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.016 0.436 . . . . 0.0 110.239 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -129.03 -43.42 1.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.572 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.441 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.306 -179.867 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' P' P ' 229' ' ' LEU . . . . . 0.513 HD11 ' N ' ' W' ' 556' ' ' THR . 6.4 tp -96.12 110.43 52.08 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.463 0.173 . . . . 0.0 110.948 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.68 -150.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.442 2.095 . . . . 0.0 111.575 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.328 -0.354 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.412 179.856 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' W' W ' 531' ' ' LEU . . . . . 0.953 HD13 ' HA ' ' W' ' 536' ' ' SER . 2.1 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.587 0.232 . . . . 0.0 110.631 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' W' W ' 532' ' ' PRO . . . . . 0.471 ' HG2' ' HG2' ' W' ' 560' ' ' PRO . 70.9 Cg_exo -50.35 -178.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.668 2.246 . . . . 0.0 113.359 -179.479 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' W' W ' 533' ' ' PRO . . . . . 0.448 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 37.7 Cg_exo -54.41 -29.38 58.52 Favored 'Trans proline' 0 CA--C 1.516 -0.383 0 C-N-CA 123.446 2.764 . . . . 0.0 114.961 -178.498 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' W' W ' 534' ' ' ARG . . . . . 0.41 ' HB3' ' N ' ' W' ' 551' ' ' ALA . 13.9 mmm-85 -132.3 53.32 2.01 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -178.104 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' W' W ' 535' ' ' TRP . . . . . 0.566 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 58.2 m95 -144.72 161.35 39.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.253 0.549 . . . . 0.0 112.399 179.681 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' W' W ' 536' ' ' SER . . . . . 0.953 ' HA ' HD13 ' W' ' 531' ' ' LEU . 1.2 m -150.74 -171.37 3.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.23 -179.85 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' W' W ' 537' ' ' MET . . . . . 0.765 ' CG ' HD21 ' W' ' 531' ' ' LEU . 45.6 mtm -134.76 148.32 50.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.748 179.846 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' W' W ' 538' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -164.19 151.59 12.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.011 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' W' W ' 539' ' ' VAL . . . . . 0.864 HG22 ' CG2' ' W' ' 545' ' ' THR . 8.0 t -99.02 132.06 45.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.761 179.749 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' W' W ' 540' ' ' ALA . . . . . 0.804 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -105.21 165.25 13.51 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.16 -179.654 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' W' W ' 541' ' ' PRO . . . . . 0.715 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 39.0 Cg_endo -66.11 -24.34 52.07 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.555 2.17 . . . . 0.0 111.687 179.667 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' W' W ' 542' ' ' ASN . . . . . 0.454 ' ND2' ' NE ' ' W' ' 544' ' ' ARG . 53.9 t30 -51.73 -25.72 7.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.726 179.698 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 114.4 -7.48 22.73 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 113.012 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' W' W ' 544' ' ' ARG . . . . . 0.524 ' HG3' ' CE3' ' W' ' 557' ' ' TRP . 9.0 ptp180 -131.04 158.44 40.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.999 0.399 . . . . 0.0 111.201 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' W' W ' 545' ' ' THR . . . . . 0.864 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.7 OUTLIER -84.86 146.73 27.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.827 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' W' W ' 546' ' ' PHE . . . . . 0.804 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 3.8 p90 -119.5 173.57 6.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.304 -179.907 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' W' W ' 547' ' ' PHE . . . . . 0.812 ' CE2' HD23 ' W' ' 531' ' ' LEU . 2.2 m-85 -112.87 123.53 50.52 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 121.294 0.569 . . . . 0.0 111.321 -179.886 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' W' W ' 548' ' ' ILE . . . . . 0.418 ' O ' ' HA ' ' W' ' 535' ' ' TRP . 4.5 mt -83.42 146.63 6.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.217 -0.902 . . . . 0.0 110.83 179.724 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -123.85 100.86 6.97 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.787 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -69.9 -24.57 63.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.05 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' W' W ' 551' ' ' ALA . . . . . 0.41 ' N ' ' HB3' ' W' ' 534' ' ' ARG . . . -63.36 -60.55 3.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.071 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.38 -1.38 41.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.646 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? 61.54 53.74 3.25 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.82 0.343 . . . . 0.0 110.81 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -137.9 179.14 6.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.027 -179.861 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 55.1 p -135.48 164.49 27.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.734 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' W' W ' 556' ' ' THR . . . . . 0.598 ' CA ' HD11 ' P' ' 229' ' ' LEU . 2.8 t -161.06 165.47 29.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.967 0.413 . . . . 0.0 111.408 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' W' W ' 557' ' ' TRP . . . . . 0.633 ' HH2' ' HB3' ' W' ' 540' ' ' ALA . 12.1 m95 -91.84 8.26 38.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.814 -179.86 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.4 mm -131.35 146.94 32.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.852 0.358 . . . . 0.0 111.095 -179.59 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' W' W ' 559' ' ' ASP . . . . . 0.506 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 2.7 p30 -90.34 140.03 26.97 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.231 -179.635 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' W' W ' 560' ' ' PRO . . . . . 0.566 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 45.4 Cg_endo -85.66 7.08 5.25 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.768 2.312 . . . . 0.0 112.594 179.484 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' W' W ' 561' ' ' ARG . . . . . 0.424 ' HG2' ' HD3' ' W' ' 532' ' ' PRO . 6.5 mtm180 -83.5 -44.6 14.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.978 0.418 . . . . 0.0 110.446 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -141.32 19.44 2.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.193 179.681 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.282 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.763 179.812 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' P' P ' 228' ' ' GLY . . . . . 0.403 ' O ' ' HD3' ' P' ' 230' ' ' PRO . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' P' P ' 229' ' ' LEU . . . . . 0.598 HD11 ' CA ' ' W' ' 556' ' ' THR . 0.4 OUTLIER -98.87 106.27 36.51 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.501 0.191 . . . . 0.0 110.801 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' P' P ' 230' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' P' ' 228' ' ' GLY . 35.6 Cg_exo -58.69 -149.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.595 2.197 . . . . 0.0 112.071 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--N 1.33 -0.254 0 CA-C-O 120.903 0.383 . . . . 0.0 111.266 -179.775 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' W' W ' 531' ' ' LEU . . . . . 0.9 HD13 ' HA ' ' W' ' 536' ' ' SER . 4.3 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.636 0.255 . . . . 0.0 110.548 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' W' W ' 532' ' ' PRO . . . . . 0.471 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 71.1 Cg_exo -50.55 -174.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.659 2.239 . . . . 0.0 113.376 -179.176 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' W' W ' 533' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 16.7 Cg_exo -71.74 -5.18 16.53 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.552 2.835 . . . . 0.0 115.14 -177.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' W' W ' 534' ' ' ARG . . . . . 0.443 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 8.1 mmt85 -146.43 38.6 1.05 Allowed 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.201 -0.599 . . . . 0.0 111.664 -179.03 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' W' W ' 535' ' ' TRP . . . . . 0.539 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 33.7 m95 -140.07 169.02 18.46 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -179.657 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' W' W ' 536' ' ' SER . . . . . 0.9 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.1 OUTLIER -149.15 -159.02 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.336 -179.909 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' W' W ' 537' ' ' MET . . . . . 0.633 ' HG3' HD21 ' W' ' 531' ' ' LEU . 28.0 mtm -142.88 145.74 33.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.836 0.351 . . . . 0.0 110.997 179.929 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' W' W ' 538' ' ' GLN . . . . . 0.48 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 4.3 tp-100 -168.97 132.57 1.38 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.748 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' W' W ' 539' ' ' VAL . . . . . 0.837 HG22 ' CG2' ' W' ' 545' ' ' THR . 13.6 t -83.68 128.43 38.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.924 0.392 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' W' W ' 540' ' ' ALA . . . . . 0.554 ' HB2' ' CD1' ' W' ' 546' ' ' PHE . . . -91.39 150.66 41.7 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.132 -179.794 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.01 -23.56 73.51 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.494 2.129 . . . . 0.0 111.753 179.571 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -52.99 -32.14 44.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.7 179.648 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 124.07 -4.81 9.0 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.791 -0.719 . . . . 0.0 113.163 179.813 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' W' W ' 544' ' ' ARG . . . . . 0.514 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.3 OUTLIER -131.24 153.07 49.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 117.008 0.404 . . . . 0.0 111.252 -179.846 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' W' W ' 545' ' ' THR . . . . . 0.837 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.4 OUTLIER -82.46 146.31 29.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.491 179.365 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' W' W ' 546' ' ' PHE . . . . . 0.554 ' CD1' ' HB2' ' W' ' 540' ' ' ALA . 8.0 p90 -121.03 -177.74 3.57 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.026 0.441 . . . . 0.0 111.112 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' W' W ' 547' ' ' PHE . . . . . 0.534 ' CE2' HD22 ' W' ' 531' ' ' LEU . 0.8 OUTLIER -125.43 124.93 42.51 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.697 179.885 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' W' W ' 548' ' ' ILE . . . . . 0.616 HG13 HG22 ' W' ' 555' ' ' THR . 2.6 mp -86.28 149.53 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.474 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -127.51 118.72 24.53 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.98 -179.544 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -82.99 -29.62 28.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -48.8 -41.02 31.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.93 179.814 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.47 2.92 7.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.398 179.633 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 59.63 68.59 0.78 Allowed 'General case' 0 N--CA 1.456 -0.138 0 CA-C-O 120.741 0.305 . . . . 0.0 110.985 -179.924 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -154.03 -168.88 3.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.882 0.372 . . . . 0.0 111.306 -179.837 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' W' W ' 555' ' ' THR . . . . . 0.616 HG22 HG13 ' W' ' 548' ' ' ILE . 70.9 p -143.17 169.27 17.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.101 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' W' W ' 556' ' ' THR . . . . . 0.87 ' CA ' HD11 ' P' ' 229' ' ' LEU . 1.3 t -164.05 165.11 22.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.031 0.443 . . . . 0.0 111.397 179.846 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' W' W ' 557' ' ' TRP . . . . . 0.514 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 14.4 m95 -87.93 14.7 8.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.658 179.931 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' W' W ' 558' ' ' ILE . . . . . 0.43 ' CG2' ' HA2' ' W' ' 563' ' ' GLY . 5.3 mm -126.56 149.54 31.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.034 0.445 . . . . 0.0 112.077 -178.544 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' W' W ' 559' ' ' ASP . . . . . 0.425 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 2.1 m-20 -103.89 114.94 64.14 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.966 -179.725 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' W' W ' 560' ' ' PRO . . . . . 0.539 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 6.1 Cg_endo -52.06 -26.43 25.66 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.199 1.932 . . . . 0.0 111.902 179.859 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.98 -30.69 71.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.739 179.861 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -127.06 -68.57 0.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 179.771 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' W' W ' 563' ' ' GLY . . . . . 0.43 ' HA2' ' CG2' ' W' ' 558' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.678 -0.169 . . . . 0.0 112.678 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' P' P ' 229' ' ' LEU . . . . . 0.87 HD11 ' CA ' ' W' ' 556' ' ' THR . 9.4 tp 67.29 66.61 0.63 Allowed Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 120.633 0.254 . . . . 0.0 111.043 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -51.99 125.81 18.32 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.352 2.035 . . . . 0.0 111.636 179.583 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.376 0 CA-C-O 121.096 0.474 . . . . 0.0 111.158 -179.609 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' W' W ' 531' ' ' LEU . . . . . 0.717 HD13 ' HA ' ' W' ' 536' ' ' SER . 3.0 mt . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.462 0.172 . . . . 0.0 110.565 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' W' W ' 532' ' ' PRO . . . . . 0.471 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 72.0 Cg_exo -50.18 -174.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.574 2.183 . . . . 0.0 113.296 -179.39 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' W' W ' 533' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 29.4 Cg_exo -64.91 -18.1 61.32 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.359 2.706 . . . . 0.0 115.131 -178.211 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' W' W ' 534' ' ' ARG . . . . . 0.434 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 82.6 mmt-85 -139.21 46.82 1.92 Allowed 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 120.43 -0.508 . . . . 0.0 112.018 -178.391 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' W' W ' 535' ' ' TRP . . . . . 0.544 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 45.0 m95 -142.88 168.54 19.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.171 0.51 . . . . 0.0 112.141 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' W' W ' 536' ' ' SER . . . . . 0.717 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.3 OUTLIER -147.52 -163.01 1.66 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.548 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' W' W ' 537' ' ' MET . . . . . 0.455 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 26.9 mtm -137.84 145.23 42.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.079 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' W' W ' 538' ' ' GLN . . . . . 0.44 ' O ' ' CD1' ' W' ' 546' ' ' PHE . 6.4 tp60 -165.33 128.39 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.747 179.799 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' W' W ' 539' ' ' VAL . . . . . 0.694 HG22 ' CG2' ' W' ' 545' ' ' THR . 42.6 t -80.54 125.03 39.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.845 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' W' W ' 540' ' ' ALA . . . . . 0.834 ' HB2' ' CD1' ' W' ' 546' ' ' PHE . . . -92.44 141.53 24.9 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.15 -179.714 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.73 -22.58 45.26 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.552 2.168 . . . . 0.0 111.702 179.678 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -51.79 -42.95 62.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.617 179.628 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 141.48 -13.39 2.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.593 -0.813 . . . . 0.0 113.059 179.744 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' W' W ' 544' ' ' ARG . . . . . 0.506 ' HG2' ' CE3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.15 149.97 52.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.942 0.401 . . . . 0.0 111.506 -179.87 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' W' W ' 545' ' ' THR . . . . . 0.694 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.3 OUTLIER -72.73 146.31 46.52 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.55 179.478 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' W' W ' 546' ' ' PHE . . . . . 0.834 ' CD1' ' HB2' ' W' ' 540' ' ' ALA . 11.7 p90 -121.96 151.29 40.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.905 179.848 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' W' W ' 547' ' ' PHE . . . . . 0.535 ' CZ ' HD22 ' W' ' 531' ' ' LEU . 0.7 OUTLIER -99.78 125.33 45.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.278 0.561 . . . . 0.0 111.489 -179.571 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' W' W ' 548' ' ' ILE . . . . . 0.469 ' O ' ' CE3' ' W' ' 535' ' ' TRP . 2.8 mp -84.55 145.3 8.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.663 179.614 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' W' W ' 549' ' ' ASP . . . . . 0.495 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 28.0 t70 -122.95 115.36 21.8 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.072 -179.602 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' W' W ' 550' ' ' HIS . . . . . 0.418 ' CD2' ' N ' ' W' ' 550' ' ' HIS . 6.4 m170 -82.66 -27.69 31.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.736 179.776 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -52.43 -37.24 56.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.564 179.729 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.03 0.45 6.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.449 179.722 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 61.94 65.16 0.93 Allowed 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.631 0.253 . . . . 0.0 111.079 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -153.87 -166.98 2.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.817 0.342 . . . . 0.0 111.352 -179.915 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 77.3 p -142.84 177.31 8.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.24 -179.756 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -170.22 164.52 9.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.377 179.889 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' W' W ' 557' ' ' TRP . . . . . 0.506 ' CE3' ' HG2' ' W' ' 544' ' ' ARG . 22.0 m95 -89.62 18.75 5.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.464 179.803 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.7 mm -132.79 152.12 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.12 0.486 . . . . 0.0 112.104 -179.002 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' W' W ' 559' ' ' ASP . . . . . 0.471 ' OD2' ' CE1' ' W' ' 547' ' ' PHE . 0.5 OUTLIER -100.68 110.3 60.14 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.468 179.845 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' W' W ' 560' ' ' PRO . . . . . 0.544 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 2.4 Cg_endo -51.63 -29.86 34.37 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.089 1.859 . . . . 0.0 112.418 -179.415 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.12 -18.89 64.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.109 179.813 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -130.34 -66.13 0.78 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.843 0.354 . . . . 0.0 110.811 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' W' W ' 563' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' W' ' 559' ' ' ASP . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.375 -179.84 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 N-CA-C 112.695 -0.162 . . . . 0.0 112.695 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' P' P ' 229' ' ' LEU . . . . . 0.49 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 1.8 tp -90.81 108.85 30.63 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.461 0.172 . . . . 0.0 110.679 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -68.59 102.67 0.87 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.587 2.191 . . . . 0.0 111.972 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.861 -179.851 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' W' W ' 531' ' ' LEU . . . . . 0.847 HD13 ' HA ' ' W' ' 536' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.122 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 . . . . . . . . . 2 2 . 1 . 024 nuclear build core ' W' W ' 532' ' ' PRO . . . . . 0.48 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 75.8 Cg_exo -49.85 -173.25 0.0 OUTLIER 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.558 2.172 . . . . 0.0 113.286 -179.155 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' W' W ' 533' ' ' PRO . . . . . 0.48 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 27.0 Cg_exo -64.29 -18.88 64.83 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.172 2.581 . . . . 0.0 115.251 -178.029 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' W' W ' 534' ' ' ARG . . . . . 0.433 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 26.0 mmt180 -140.29 51.44 1.68 Allowed 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 120.401 -0.52 . . . . 0.0 111.534 -178.75 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' W' W ' 535' ' ' TRP . . . . . 0.522 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 54.6 m95 -145.37 168.52 20.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.42 0.628 . . . . 0.0 112.49 -179.873 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' W' W ' 536' ' ' SER . . . . . 0.847 ' HA ' HD13 ' W' ' 531' ' ' LEU . 2.0 m -153.24 -171.81 4.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.795 179.746 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' W' W ' 537' ' ' MET . . . . . 0.672 ' HG3' HD21 ' W' ' 531' ' ' LEU . 0.0 OUTLIER -150.09 141.48 23.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.097 0.475 . . . . 0.0 111.617 -179.935 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' W' W ' 538' ' ' GLN . . . . . 0.471 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 0.3 OUTLIER -168.08 141.45 3.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.34 179.816 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' W' W ' 539' ' ' VAL . . . . . 0.847 HG22 ' CG2' ' W' ' 545' ' ' THR . 20.7 t -72.37 131.45 34.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.369 . . . . 0.0 111.125 -179.738 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' W' W ' 540' ' ' ALA . . . . . 0.757 ' HB2' ' CD1' ' W' ' 546' ' ' PHE . . . -90.74 166.52 18.92 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.137 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' W' W ' 541' ' ' PRO . . . . . 0.716 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 57.5 Cg_endo -71.03 -23.17 25.35 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.5 2.133 . . . . 0.0 112.047 179.837 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' W' W ' 542' ' ' ASN . . . . . 0.427 ' ND2' ' HD3' ' W' ' 544' ' ' ARG . 25.9 t30 -55.4 -41.23 72.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.863 179.899 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 138.51 -14.19 3.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.533 -0.842 . . . . 0.0 112.993 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' W' W ' 544' ' ' ARG . . . . . 0.534 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -126.38 157.97 37.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.965 0.412 . . . . 0.0 111.384 -179.87 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' W' W ' 545' ' ' THR . . . . . 0.847 ' CG2' HG22 ' W' ' 539' ' ' VAL . 1.0 OUTLIER -80.51 146.87 31.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.309 -179.828 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' W' W ' 546' ' ' PHE . . . . . 0.757 ' CD1' ' HB2' ' W' ' 540' ' ' ALA . 11.0 p90 -124.35 -174.58 3.04 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.232 -179.865 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' W' W ' 547' ' ' PHE . . . . . 0.814 ' CE2' HD23 ' W' ' 531' ' ' LEU . 1.1 m-85 -123.67 119.43 29.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.9 179.353 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' W' W ' 548' ' ' ILE . . . . . 0.434 HG13 HG22 ' W' ' 555' ' ' THR . 2.4 mp -80.62 125.97 39.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.214 0.53 . . . . 0.0 111.302 -179.169 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' W' W ' 549' ' ' ASP . . . . . 0.471 ' OD2' ' CH2' ' W' ' 535' ' ' TRP . 0.2 OUTLIER -93.24 125.52 37.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.334 179.77 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -95.69 -34.79 11.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 111.292 -179.587 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -50.07 -39.34 41.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.181 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.99 3.23 7.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.744 179.896 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 34.1 mtt180 61.13 72.51 0.52 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.914 0.388 . . . . 0.0 110.871 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 45.7 mtt-85 -149.34 -164.07 1.94 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' W' W ' 555' ' ' THR . . . . . 0.834 ' O ' HD11 ' P' ' 229' ' ' LEU . 46.5 p -150.9 140.23 21.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.456 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' W' W ' 556' ' ' THR . . . . . 0.516 ' HA ' HD11 ' P' ' 229' ' ' LEU . 15.4 t -133.6 162.79 30.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.983 179.488 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' W' W ' 557' ' ' TRP . . . . . 0.534 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 13.0 m95 -85.51 -39.85 17.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.871 -179.256 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 4.2 mm -86.75 124.81 40.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.558 -178.955 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' W' W ' 559' ' ' ASP . . . . . 0.429 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 0.7 OUTLIER -68.02 144.63 97.22 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.171 -179.663 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' W' W ' 560' ' ' PRO . . . . . 0.522 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 36.8 Cg_endo -85.08 -22.71 2.68 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.67 2.247 . . . . 0.0 112.403 179.777 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.39 -28.84 46.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.963 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -144.78 -43.54 0.24 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.849 -179.871 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.512 179.904 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.605 -0.198 . . . . 0.0 112.605 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' P' P ' 229' ' ' LEU . . . . . 0.834 HD11 ' O ' ' W' ' 555' ' ' THR . 0.2 OUTLIER 53.84 96.69 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 120.612 0.244 . . . . 0.0 110.739 -179.862 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.07 -146.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.492 2.128 . . . . 0.0 111.391 179.437 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 4.9 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 0.0 110.861 179.71 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' W' W ' 531' ' ' LEU . . . . . 0.851 HD23 ' CE2' ' W' ' 547' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.463 0.196 0 CA-C-O 120.667 0.27 . . . . 0.0 110.456 . . . . . . . . . 2 2 . 1 . 025 nuclear build core ' W' W ' 532' ' ' PRO . . . . . 0.467 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 80.2 Cg_exo -48.17 179.39 0.01 OUTLIER 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.65 2.233 . . . . 0.0 113.031 -179.41 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' W' W ' 533' ' ' PRO . . . . . 0.467 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 59.4 Cg_exo -43.09 -52.43 4.82 Favored 'Trans proline' 0 CA--C 1.515 -0.43 0 C-N-CA 123.515 2.81 . . . . 0.0 115.177 -178.665 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' W' W ' 534' ' ' ARG . . . . . 0.473 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 21.0 mmt85 -120.77 68.63 0.87 Allowed 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.73 -178.179 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' W' W ' 535' ' ' TRP . . . . . 0.587 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 79.6 m95 -153.47 156.09 37.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.168 0.508 . . . . 0.0 112.26 179.76 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' W' W ' 536' ' ' SER . . . . . 0.717 ' CA ' HD22 ' W' ' 531' ' ' LEU . 1.5 m -143.82 -172.05 3.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.206 179.678 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' W' W ' 537' ' ' MET . . . . . 0.407 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 0.1 OUTLIER -145.7 128.53 16.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.979 0.419 . . . . 0.0 111.338 -179.942 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' W' W ' 538' ' ' GLN . . . . . 0.653 ' HB2' HD11 ' W' ' 548' ' ' ILE . 1.3 mt-30 -145.58 144.93 30.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.605 179.677 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' W' W ' 539' ' ' VAL . . . . . 0.957 HG22 ' CG2' ' W' ' 545' ' ' THR . 9.5 t -84.2 129.11 38.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.046 -179.818 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' W' W ' 540' ' ' ALA . . . . . 0.821 ' HB1' ' HD2' ' W' ' 541' ' ' PRO . . . -94.98 169.66 9.11 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' W' W ' 541' ' ' PRO . . . . . 0.821 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 55.6 Cg_endo -69.82 -23.78 30.12 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.475 2.117 . . . . 0.0 112.055 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -53.4 -33.01 52.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.835 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 123.98 -8.61 8.6 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.649 -0.786 . . . . 0.0 113.093 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' W' W ' 544' ' ' ARG . . . . . 0.529 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -128.49 156.67 42.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 117.023 0.411 . . . . 0.0 111.415 -179.874 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' W' W ' 545' ' ' THR . . . . . 0.957 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.6 OUTLIER -85.1 146.91 26.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.222 -179.917 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' W' W ' 546' ' ' PHE . . . . . 0.741 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 3.4 p90 -120.95 -174.85 2.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 179.837 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' W' W ' 547' ' ' PHE . . . . . 0.851 ' CE2' HD23 ' W' ' 531' ' ' LEU . 1.0 OUTLIER -123.11 118.34 27.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.003 0.43 . . . . 0.0 110.353 179.731 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' W' W ' 548' ' ' ILE . . . . . 0.653 HD11 ' HB2' ' W' ' 538' ' ' GLN . 2.7 mp -79.52 137.48 21.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.795 -179.732 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' W' W ' 549' ' ' ASP . . . . . 0.482 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 55.2 t0 -110.17 105.97 15.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.047 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' W' W ' 550' ' ' HIS . . . . . 0.407 ' HB2' ' HB3' ' W' ' 534' ' ' ARG . 19.4 m-70 -76.41 -21.72 55.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -59.43 -46.02 89.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.89 0.376 . . . . 0.0 111.059 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.6 19.24 6.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.221 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 49.47 64.28 1.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 111.06 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -135.65 -167.5 2.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.669 179.729 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' W' W ' 555' ' ' THR . . . . . 0.803 ' O ' HD21 ' P' ' 229' ' ' LEU . 63.7 p -151.74 155.06 37.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.248 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' W' W ' 556' ' ' THR . . . . . 0.614 ' CA ' HD11 ' P' ' 229' ' ' LEU . 10.6 t -148.91 159.16 44.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.013 0.435 . . . . 0.0 111.184 -179.917 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' W' W ' 557' ' ' TRP . . . . . 0.529 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 22.9 m95 -87.45 -22.06 25.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.214 -179.929 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 31.5 mt -107.22 125.57 63.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.135 0.493 . . . . 0.0 111.919 -178.956 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' W' W ' 559' ' ' ASP . . . . . 0.493 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 4.7 p30 -57.3 138.45 80.7 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.053 -179.848 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' W' W ' 560' ' ' PRO . . . . . 0.587 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 81.3 Cg_endo -90.98 19.65 1.09 Allowed 'Trans proline' 0 N--CA 1.455 -0.755 0 C-N-CA 123.012 2.475 . . . . 0.0 111.903 179.321 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.07 7.71 29.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.441 -179.604 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -175.41 -49.53 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.719 0.295 . . . . 0.0 110.718 179.774 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.618 179.859 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.413 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' P' P ' 229' ' ' LEU . . . . . 0.803 HD21 ' O ' ' W' ' 555' ' ' THR . 4.4 tp 68.32 70.61 0.42 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.695 0.283 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' P' P ' 230' ' ' PRO . . . . . 0.406 ' O ' HG21 ' W' ' 555' ' ' THR . 53.2 Cg_exo -54.94 104.93 0.13 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.543 2.162 . . . . 0.0 112.074 179.88 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 32.8 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 -179.907 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' W' W ' 531' ' ' LEU . . . . . 0.446 ' CD1' ' HA ' ' W' ' 536' ' ' SER . 1.3 mt . . . . . 0 C--O 1.232 0.136 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' W' W ' 532' ' ' PRO . . . . . 0.462 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 56.4 Cg_exo -50.85 -174.81 0.01 OUTLIER 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 122.267 1.978 . . . . 0.0 113.244 -178.968 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' W' W ' 533' ' ' PRO . . . . . 0.462 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 19.8 Cg_exo -69.73 -10.18 27.95 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.407 2.738 . . . . 0.0 115.168 -177.922 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' W' W ' 534' ' ' ARG . . . . . 0.437 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 22.8 mmt85 -143.57 43.07 1.5 Allowed 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 120.359 -0.536 . . . . 0.0 111.66 -178.883 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' W' W ' 535' ' ' TRP . . . . . 0.531 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 38.3 m95 -141.55 168.01 20.79 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.41 0.624 . . . . 0.0 112.466 -179.934 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' W' W ' 536' ' ' SER . . . . . 0.446 ' HA ' ' CD1' ' W' ' 531' ' ' LEU . 0.1 OUTLIER -147.39 -158.14 0.88 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.429 -179.835 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' W' W ' 537' ' ' MET . . . . . . . . . . . . . 26.8 mtp -144.4 144.69 31.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.755 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' W' W ' 538' ' ' GLN . . . . . 0.471 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 2.2 tp-100 -168.2 129.73 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.979 -179.888 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' W' W ' 539' ' ' VAL . . . . . 0.749 HG22 ' CG2' ' W' ' 545' ' ' THR . 4.7 t -79.48 136.51 23.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.802 179.728 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' W' W ' 540' ' ' ALA . . . . . 0.861 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -107.6 156.75 37.35 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.33 -179.696 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -62.85 -24.45 74.36 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.613 2.208 . . . . 0.0 111.402 179.385 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -47.82 -42.02 25.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.759 179.728 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 134.47 -12.06 4.62 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.668 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' W' W ' 544' ' ' ARG . . . . . 0.506 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.24 155.81 46.47 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.91 0.386 . . . . 0.0 111.108 -179.935 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' W' W ' 545' ' ' THR . . . . . 0.749 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.5 OUTLIER -80.47 145.33 31.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.05 179.276 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' W' W ' 546' ' ' PHE . . . . . 0.861 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 7.4 p90 -117.22 -179.56 3.75 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.014 0.435 . . . . 0.0 111.201 -179.666 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' W' W ' 547' ' ' PHE . . . . . 0.505 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.6 OUTLIER -123.89 126.47 46.43 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.169 -179.784 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' W' W ' 548' ' ' ILE . . . . . 0.539 HG13 HG22 ' W' ' 555' ' ' THR . 2.7 mp -86.71 149.25 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.359 179.663 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -128.64 117.41 21.16 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.013 -179.496 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -81.91 -26.07 34.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.788 179.864 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -50.05 -43.12 50.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.734 179.583 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.72 1.19 8.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.306 179.583 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 59.7 mmt-85 63.11 62.77 0.98 Allowed 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.733 0.301 . . . . 0.0 110.977 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' W' W ' 554' ' ' ARG . . . . . 0.433 ' CZ ' ' HB3' ' W' ' 554' ' ' ARG . 5.4 mtp-105 -149.24 -166.53 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.967 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' W' W ' 555' ' ' THR . . . . . 0.539 HG22 HG13 ' W' ' 548' ' ' ILE . 60.3 p -143.92 179.67 7.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 179.791 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -171.15 166.04 7.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.117 179.861 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' W' W ' 557' ' ' TRP . . . . . 0.506 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 19.1 m95 -89.6 15.37 9.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.452 179.832 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.5 mm -129.05 149.07 33.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.099 0.476 . . . . 0.0 111.754 -179.022 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' W' W ' 559' ' ' ASP . . . . . 0.454 ' HA ' ' HD2' ' W' ' 560' ' ' PRO . 2.2 m-20 -102.94 110.81 64.28 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.104 -179.688 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' W' W ' 560' ' ' PRO . . . . . 0.531 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 1.9 Cg_endo -47.5 -37.33 25.9 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 121.999 1.8 . . . . 0.0 111.184 179.43 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' W' W ' 561' ' ' ARG . . . . . 0.419 ' HG3' ' HB3' ' W' ' 559' ' ' ASP . 0.0 OUTLIER -49.39 -29.83 6.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.833 179.539 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -129.73 -60.14 1.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.934 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' W' W ' 563' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' W' ' 559' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.347 -179.865 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' P' P ' 229' ' ' LEU . . . . . 0.476 ' HB2' ' CZ2' ' W' ' 557' ' ' TRP . 0.8 OUTLIER -112.01 92.14 17.39 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.716 0.293 . . . . 0.0 111.175 -179.908 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.54 103.69 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.583 2.189 . . . . 0.0 111.973 179.667 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 9.7 t . . . . . 0 C--N 1.326 -0.413 0 CA-C-O 121.159 0.504 . . . . 0.0 111.083 -179.656 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' W' W ' 531' ' ' LEU . . . . . 0.941 HD21 ' HG3' ' W' ' 537' ' ' MET . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.106 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 . . . . . . . . . 2 2 . 1 . 027 nuclear build core ' W' W ' 532' ' ' PRO . . . . . 0.48 ' HG2' ' HG2' ' W' ' 560' ' ' PRO . 76.2 Cg_exo -49.08 -174.09 0.0 OUTLIER 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.625 2.217 . . . . 0.0 113.371 -179.271 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' W' W ' 533' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 24.8 Cg_exo -64.79 -12.39 33.85 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.303 2.669 . . . . 0.0 115.424 -177.983 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' W' W ' 534' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -145.79 43.76 1.26 Allowed 'General case' 0 C--N 1.312 -1.04 0 C-N-CA 120.17 -0.612 . . . . 0.0 111.845 -178.866 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' W' W ' 535' ' ' TRP . . . . . 0.532 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 47.9 m95 -137.97 168.93 18.7 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -179.87 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' W' W ' 536' ' ' SER . . . . . 0.889 ' CA ' HD22 ' W' ' 531' ' ' LEU . 0.6 OUTLIER -159.2 -167.68 2.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.497 -179.961 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' W' W ' 537' ' ' MET . . . . . 0.941 ' HG3' HD21 ' W' ' 531' ' ' LEU . 17.5 mtp -129.02 152.94 48.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.001 -179.881 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' W' W ' 538' ' ' GLN . . . . . 0.74 ' CB ' HD11 ' W' ' 548' ' ' ILE . 4.3 tp-100 -168.45 129.81 1.32 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.038 179.844 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' W' W ' 539' ' ' VAL . . . . . 0.439 HG13 ' O ' ' W' ' 539' ' ' VAL . 13.7 p -84.7 125.72 40.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.667 179.735 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' W' W ' 540' ' ' ALA . . . . . 0.831 ' HB1' ' HD2' ' W' ' 541' ' ' PRO . . . -98.17 169.79 7.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.454 -179.489 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' W' W ' 541' ' ' PRO . . . . . 0.831 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 56.5 Cg_endo -70.85 -23.52 25.75 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.546 2.164 . . . . 0.0 111.855 179.719 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -50.25 -32.63 17.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.697 179.684 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 123.98 -10.21 8.39 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.858 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' W' W ' 544' ' ' ARG . . . . . 0.529 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 2.2 ptp180 -131.35 158.28 41.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.048 0.452 . . . . 0.0 111.374 -179.804 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' W' W ' 545' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' W' ' 539' ' ' VAL . 0.3 OUTLIER -83.29 146.57 28.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.618 179.581 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' W' W ' 546' ' ' PHE . . . . . 0.791 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 5.8 p90 -118.59 -176.07 3.01 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.179 -179.66 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' W' W ' 547' ' ' PHE . . . . . 0.495 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.8 OUTLIER -120.88 118.36 29.73 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.294 0.568 . . . . 0.0 110.892 179.785 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' W' W ' 548' ' ' ILE . . . . . 0.74 HD11 ' CB ' ' W' ' 538' ' ' GLN . 3.3 mt -82.4 143.32 12.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.653 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -122.09 116.93 25.12 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.612 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -81.82 -26.41 34.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.186 -179.764 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -57.54 -38.36 74.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.881 179.837 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.67 -13.22 9.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.532 -179.903 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.98 43.1 0.33 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.833 0.349 . . . . 0.0 110.711 -179.75 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -131.56 -166.16 1.68 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 -179.836 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' W' W ' 555' ' ' THR . . . . . 0.425 HG22 ' HA ' ' W' ' 548' ' ' ILE . 38.8 p -142.22 176.2 9.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.275 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' W' W ' 556' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' W' ' 546' ' ' PHE . 10.0 t -167.29 167.27 14.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.369 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' W' W ' 557' ' ' TRP . . . . . 0.529 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 11.6 m95 -96.53 11.8 33.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.022 -179.63 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' W' W ' 558' ' ' ILE . . . . . 0.403 HG22 ' N ' ' W' ' 559' ' ' ASP . 6.5 mm -128.61 154.44 39.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.922 0.391 . . . . 0.0 111.774 -179.272 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' W' W ' 559' ' ' ASP . . . . . 0.412 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 1.2 p30 -99.8 114.19 65.5 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.943 -179.867 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' W' W ' 560' ' ' PRO . . . . . 0.532 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 9.4 Cg_endo -55.87 -19.21 24.51 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.368 2.045 . . . . 0.0 112.507 -179.856 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.01 -59.39 5.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.994 0.426 . . . . 0.0 110.296 179.746 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -112.94 -40.92 3.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.699 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.858 -0.686 . . . . 0.0 112.419 -179.89 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.796 -0.122 . . . . 0.0 112.796 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' P' P ' 229' ' ' LEU . . . . . 0.488 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 9.1 tp -101.72 110.4 61.89 Favored Pre-proline 0 C--N 1.329 -0.31 0 O-C-N 122.828 -0.219 . . . . 0.0 110.804 179.927 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -57.11 -154.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.38 2.054 . . . . 0.0 111.978 179.796 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.187 -179.952 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' W' W ' 531' ' ' LEU . . . . . 0.927 HD13 ' HA ' ' W' ' 536' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.724 0 CA-C-O 120.635 0.255 . . . . 0.0 111.574 . . . . . . . . . 2 2 . 1 . 028 nuclear build core ' W' W ' 532' ' ' PRO . . . . . 0.478 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 72.6 Cg_exo -50.85 -173.55 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.584 2.189 . . . . 0.0 113.312 -179.574 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' W' W ' 533' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 17.3 Cg_exo -71.28 -9.08 24.73 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.571 2.848 . . . . 0.0 114.974 -178.177 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' W' W ' 534' ' ' ARG . . . . . 0.443 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 19.2 mmt85 -142.1 38.9 1.6 Allowed 'General case' 0 C--N 1.313 -0.98 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.903 -178.829 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' W' W ' 535' ' ' TRP . . . . . 0.533 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 31.3 m95 -139.31 169.59 17.49 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.359 0.599 . . . . 0.0 112.483 -179.65 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' W' W ' 536' ' ' SER . . . . . 0.927 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.1 OUTLIER -142.4 -158.95 0.91 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.29 179.936 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' W' W ' 537' ' ' MET . . . . . 0.911 ' HG3' HD22 ' W' ' 531' ' ' LEU . 17.3 mtp -148.79 126.89 12.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.689 179.798 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' W' W ' 538' ' ' GLN . . . . . 0.46 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 1.5 tp60 -152.46 132.6 13.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.136 -179.637 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' W' W ' 539' ' ' VAL . . . . . 0.721 HG22 ' CG2' ' W' ' 545' ' ' THR . 12.6 t -80.43 127.6 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.464 179.609 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' W' W ' 540' ' ' ALA . . . . . 0.669 ' HB2' ' CD1' ' W' ' 546' ' ' PHE . . . -91.15 141.34 26.25 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.159 -179.661 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -55.0 -23.42 34.99 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.542 2.162 . . . . 0.0 111.471 179.457 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -51.99 -34.37 42.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.718 179.642 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 130.37 -12.84 5.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.908 179.767 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' W' W ' 544' ' ' ARG . . . . . 0.52 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -126.56 155.38 42.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.973 0.416 . . . . 0.0 111.206 -179.799 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' W' W ' 545' ' ' THR . . . . . 0.721 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.2 OUTLIER -84.68 146.13 27.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.435 179.289 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' W' W ' 546' ' ' PHE . . . . . 0.669 ' CD1' ' HB2' ' W' ' 540' ' ' ALA . 5.3 p90 -121.16 179.3 4.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.059 179.927 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' W' W ' 547' ' ' PHE . . . . . 0.479 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.3 OUTLIER -124.93 120.64 32.19 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.552 179.707 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' W' W ' 548' ' ' ILE . . . . . 0.577 ' HA ' HG22 ' W' ' 555' ' ' THR . 2.8 mp -79.32 143.39 12.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.429 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' W' W ' 549' ' ' ASP . . . . . 0.45 ' OD1' ' CE2' ' W' ' 535' ' ' TRP . 32.0 t70 -123.76 119.73 30.61 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.972 -179.288 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' W' W ' 550' ' ' HIS . . . . . 0.419 ' O ' ' HD3' ' W' ' 553' ' ' ARG . 0.5 OUTLIER -91.27 -23.78 20.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.777 179.938 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -60.93 -39.41 89.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.179 -179.827 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.35 -12.33 10.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.678 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' W' W ' 553' ' ' ARG . . . . . 0.419 ' HD3' ' O ' ' W' ' 550' ' ' HIS . 0.2 OUTLIER 74.84 55.16 0.08 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.772 0.32 . . . . 0.0 110.823 -179.756 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' W' W ' 554' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' W' ' 549' ' ' ASP . 14.3 mtp180 -155.0 172.27 18.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' W' W ' 555' ' ' THR . . . . . 0.577 HG22 ' HA ' ' W' ' 548' ' ' ILE . 67.5 p -123.75 -176.26 3.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.808 0.337 . . . . 0.0 111.061 179.829 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' W' W ' 556' ' ' THR . . . . . 0.448 ' CA ' HD11 ' P' ' 229' ' ' LEU . 1.0 OUTLIER -174.88 166.89 3.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.439 179.973 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' W' W ' 557' ' ' TRP . . . . . 0.52 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 25.9 m95 -91.93 21.0 5.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.14 179.701 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.3 mm -133.48 143.9 37.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.075 0.464 . . . . 0.0 111.898 -178.771 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' W' W ' 559' ' ' ASP . . . . . 0.433 ' HA ' ' HD2' ' W' ' 560' ' ' PRO . 3.4 m-20 -94.79 111.51 54.58 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.687 179.783 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' W' W ' 560' ' ' PRO . . . . . 0.533 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 3.6 Cg_endo -49.6 -35.24 36.99 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 121.99 1.793 . . . . 0.0 111.531 179.896 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.99 -41.57 47.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.788 179.539 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -116.51 -64.44 1.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.801 179.885 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.454 179.966 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' P' P ' 229' ' ' LEU . . . . . 0.497 ' HB2' ' CZ2' ' W' ' 557' ' ' TRP . 0.5 OUTLIER -105.57 100.59 27.44 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 120.519 0.199 . . . . 0.0 111.123 -179.701 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -56.38 93.8 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.331 2.021 . . . . 0.0 111.619 179.539 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 5.8 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.485 -179.442 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' W' W ' 531' ' ' LEU . . . . . 0.655 HD13 ' HA ' ' W' ' 536' ' ' SER . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 2 2 . 1 . 029 nuclear build core ' W' W ' 532' ' ' PRO . . . . . 0.486 ' HB2' ' CD1' ' W' ' 535' ' ' TRP . 71.9 Cg_exo -49.67 -176.01 0.01 OUTLIER 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 122.468 2.112 . . . . 0.0 113.5 -178.734 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' W' W ' 533' ' ' PRO . . . . . 0.44 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 17.1 Cg_exo -71.15 -1.11 9.07 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.584 2.856 . . . . 0.0 115.153 -177.893 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' W' W ' 534' ' ' ARG . . . . . 0.439 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 6.1 mmt180 -151.17 38.46 0.65 Allowed 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 120.211 -0.596 . . . . 0.0 111.492 -179.189 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' W' W ' 535' ' ' TRP . . . . . 0.518 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 31.8 m95 -139.24 168.91 18.76 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.34 0.591 . . . . 0.0 112.439 -179.632 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' W' W ' 536' ' ' SER . . . . . 0.655 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.1 OUTLIER -146.32 -157.31 0.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.334 -179.826 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' W' W ' 537' ' ' MET . . . . . 0.42 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 28.3 mtp -149.17 128.9 13.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.797 0.332 . . . . 0.0 110.85 179.889 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' W' W ' 538' ' ' GLN . . . . . 0.46 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 0.7 OUTLIER -153.21 134.6 14.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.041 -179.713 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' W' W ' 539' ' ' VAL . . . . . 0.601 HG22 ' CG2' ' W' ' 545' ' ' THR . 2.3 t -81.56 133.1 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.767 179.828 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' W' W ' 540' ' ' ALA . . . . . 0.705 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -99.14 154.93 37.07 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.234 -179.712 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -61.75 -25.51 78.74 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.528 2.152 . . . . 0.0 111.655 179.678 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -50.16 -34.41 22.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.835 179.711 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 126.62 -8.45 7.34 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.944 179.889 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' W' W ' 544' ' ' ARG . . . . . 0.519 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -130.88 154.49 48.02 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.946 0.403 . . . . 0.0 111.237 -179.801 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' W' W ' 545' ' ' THR . . . . . 0.601 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.8 OUTLIER -82.16 146.49 29.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.759 179.628 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' W' W ' 546' ' ' PHE . . . . . 0.705 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 5.3 p90 -119.56 -176.5 3.17 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 -179.893 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' W' W ' 547' ' ' PHE . . . . . 0.496 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.6 OUTLIER -125.85 123.71 39.28 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.584 179.716 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' W' W ' 548' ' ' ILE . . . . . 0.586 HG13 HG22 ' W' ' 555' ' ' THR . 2.7 mp -85.4 149.79 4.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.798 -179.64 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -126.77 116.44 20.91 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' W' W ' 550' ' ' HIS . . . . . 0.419 ' CD2' ' N ' ' W' ' 550' ' ' HIS . 6.7 m170 -81.56 -29.94 33.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.999 -179.853 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -48.88 -33.96 11.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.144 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.76 7.2 3.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.658 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 58.91 61.35 2.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.612 0.244 . . . . 0.0 111.085 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' W' W ' 554' ' ' ARG . . . . . 0.404 ' CZ ' ' HB2' ' W' ' 554' ' ' ARG . 13.2 mtm105 -144.6 -166.17 2.32 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.853 0.359 . . . . 0.0 111.415 -179.877 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' W' W ' 555' ' ' THR . . . . . 0.586 HG22 HG13 ' W' ' 548' ' ' ILE . 65.2 p -146.78 -178.4 6.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.801 179.938 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.21 163.2 2.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.214 179.766 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' W' W ' 557' ' ' TRP . . . . . 0.519 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 18.8 m95 -88.58 16.26 6.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.71 -179.887 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.0 mm -128.02 143.14 41.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.036 0.446 . . . . 0.0 111.858 -178.938 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' W' W ' 559' ' ' ASP . . . . . 0.435 ' HA ' ' HD2' ' W' ' 560' ' ' PRO . 1.4 m-20 -98.48 111.28 59.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.122 -179.61 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' W' W ' 560' ' ' PRO . . . . . 0.518 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 5.6 Cg_endo -50.93 -34.6 46.5 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 121.962 1.775 . . . . 0.0 111.44 179.682 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.84 -29.39 40.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.709 179.483 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -130.36 -67.21 0.74 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' W' W ' 563' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' W' ' 559' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.467 -179.959 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' P' P ' 228' ' ' GLY . . . . . 0.403 ' O ' ' HD3' ' P' ' 230' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' P' P ' 229' ' ' LEU . . . . . 0.5 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 4.1 tp -101.75 104.04 32.47 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 120.481 0.181 . . . . 0.0 110.863 179.903 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' P' P ' 230' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' P' ' 228' ' ' GLY . 14.4 Cg_exo -69.64 110.51 2.55 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.676 2.25 . . . . 0.0 111.966 -179.899 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 19.5 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.06 -179.827 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' W' W ' 531' ' ' LEU . . . . . 0.988 HD21 ' HG3' ' W' ' 537' ' ' MET . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.554 0.216 . . . . 0.0 110.441 . . . . . . . . . 2 2 . 1 . 030 nuclear build core ' W' W ' 532' ' ' PRO . . . . . 0.47 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 70.8 Cg_exo -50.76 -174.2 0.01 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.427 2.084 . . . . 0.0 112.954 -179.435 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' W' W ' 533' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 22.1 Cg_exo -68.43 -12.15 34.02 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.282 2.655 . . . . 0.0 115.223 -178.056 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' W' W ' 534' ' ' ARG . . . . . 0.446 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 19.2 mmt180 -142.2 45.35 1.65 Allowed 'General case' 0 C--N 1.314 -0.97 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.744 -178.833 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' W' W ' 535' ' ' TRP . . . . . 0.518 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 41.3 m95 -143.32 169.2 18.09 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -179.65 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' W' W ' 536' ' ' SER . . . . . 0.81 ' HA ' HD22 ' W' ' 531' ' ' LEU . 0.3 OUTLIER -154.95 -163.77 1.64 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.332 179.906 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' W' W ' 537' ' ' MET . . . . . 0.988 ' HG3' HD21 ' W' ' 531' ' ' LEU . 5.2 mtt -131.28 153.22 49.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.075 -179.741 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' W' W ' 538' ' ' GLN . . . . . 0.547 ' HB2' HD11 ' W' ' 548' ' ' ILE . 4.8 tp-100 -169.17 128.49 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.789 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' W' W ' 539' ' ' VAL . . . . . 0.784 HG22 ' CG2' ' W' ' 545' ' ' THR . 17.9 t -85.44 125.67 40.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.575 179.66 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' W' W ' 540' ' ' ALA . . . . . 0.812 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -100.53 152.55 37.87 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.423 -179.388 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_exo -60.46 -25.61 80.9 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.666 2.244 . . . . 0.0 111.512 179.545 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -47.18 -34.03 5.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.667 179.674 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 126.32 -10.43 7.3 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.747 179.833 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' W' W ' 544' ' ' ARG . . . . . 0.512 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.1 OUTLIER -131.3 155.24 47.52 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.942 0.401 . . . . 0.0 111.16 -179.936 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' W' W ' 545' ' ' THR . . . . . 0.784 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.6 OUTLIER -80.37 146.11 31.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.16 179.221 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' W' W ' 546' ' ' PHE . . . . . 0.812 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 4.7 p90 -118.44 169.54 9.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.885 0.374 . . . . 0.0 110.958 179.884 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' W' W ' 547' ' ' PHE . . . . . 0.677 ' CE2' HD23 ' W' ' 531' ' ' LEU . 0.6 OUTLIER -115.64 129.31 56.45 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.476 0.655 . . . . 0.0 111.05 -179.558 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' W' W ' 548' ' ' ILE . . . . . 0.631 HG13 HG22 ' W' ' 555' ' ' THR . 2.7 mp -89.21 151.25 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.678 -179.817 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' W' W ' 549' ' ' ASP . . . . . 0.436 ' OD2' ' CZ2' ' W' ' 535' ' ' TRP . 7.1 t70 -128.67 115.32 17.85 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.926 -179.758 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' W' W ' 550' ' ' HIS . . . . . 0.415 ' HB2' ' HD3' ' W' ' 534' ' ' ARG . 1.5 m80 -82.31 -24.58 34.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -54.94 -39.9 69.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.757 179.706 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.86 -4.33 8.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.549 179.911 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 66.59 64.09 0.5 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.836 0.35 . . . . 0.0 110.841 -179.666 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -152.7 -174.97 5.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.801 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' W' W ' 555' ' ' THR . . . . . 0.631 HG22 HG13 ' W' ' 548' ' ' ILE . 41.3 p -137.78 171.21 14.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 179.792 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 1.8 t -164.52 169.97 16.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.064 0.459 . . . . 0.0 111.385 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' W' W ' 557' ' ' TRP . . . . . 0.512 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 27.7 m95 -93.49 19.87 7.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.144 179.795 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 4.6 mm -133.36 137.27 53.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.916 0.388 . . . . 0.0 111.572 -179.133 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' W' W ' 559' ' ' ASP . . . . . 0.499 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 21.9 p30 -97.71 114.39 64.89 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.687 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' W' W ' 560' ' ' PRO . . . . . 0.518 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 5.1 Cg_endo -50.54 -35.97 47.9 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.374 2.049 . . . . 0.0 112.217 -179.766 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' W' W ' 561' ' ' ARG . . . . . 0.429 ' CG ' ' HB2' ' W' ' 559' ' ' ASP . 0.1 OUTLIER -49.02 -32.33 9.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.925 179.823 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' W' W ' 562' ' ' ASN . . . . . 0.411 ' ND2' ' OD2' ' W' ' 559' ' ' ASP . 3.0 m-20 -129.35 -63.71 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.725 -179.918 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.612 179.92 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' P' P ' 229' ' ' LEU . . . . . 0.495 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 0.4 OUTLIER -105.91 101.01 31.09 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.624 0.25 . . . . 0.0 111.013 -179.892 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -57.58 104.52 0.16 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.363 2.042 . . . . 0.0 112.058 179.808 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 16.7 t . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.256 -179.786 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' W' W ' 521' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.172 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' W' W ' 522' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.03 141.31 69.66 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.647 2.231 . . . . 0.0 112.326 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 71.81 -71.78 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.955 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -66.64 86.08 0.11 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.461 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.06 173.35 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.337 . . . . 0.0 110.819 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . 87.69 70.01 1.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.492 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -110.84 50.99 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -159.69 177.27 11.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.812 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 529' ' ' GLU . . . . . 0.452 ' HB3' ' NE ' ' W' ' 561' ' ' ARG . 1.7 tp10 -65.44 114.14 14.42 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.765 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -47.74 136.58 21.8 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.44 2.093 . . . . 0.0 112.581 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 531' ' ' LEU . . . . . 0.807 HD13 ' HA ' ' W' ' 536' ' ' SER . 0.3 OUTLIER -68.27 140.49 92.98 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.937 179.343 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' W' W ' 532' ' ' PRO . . . . . 0.442 ' HG2' ' HG2' ' W' ' 560' ' ' PRO . 83.4 Cg_exo -49.0 179.16 0.01 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.218 1.945 . . . . 0.0 112.674 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 533' ' ' PRO . . . . . 0.44 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 93.1 Cg_exo -45.55 -40.02 17.85 Favored 'Trans proline' 0 CA--C 1.515 -0.442 0 C-N-CA 123.337 2.691 . . . . 0.0 115.335 -178.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 534' ' ' ARG . . . . . 0.434 ' HB3' ' N ' ' W' ' 551' ' ' ALA . 11.2 mmm180 -131.88 63.76 1.61 Allowed 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.713 -178.084 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 535' ' ' TRP . . . . . 0.556 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 70.4 m95 -150.11 162.22 40.84 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 536' ' ' SER . . . . . 0.807 ' HA ' HD13 ' W' ' 531' ' ' LEU . 1.7 m -145.49 -171.81 3.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.001 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 537' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.39 123.59 8.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.973 0.416 . . . . 0.0 111.342 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 538' ' ' GLN . . . . . 0.487 ' HB2' HD11 ' W' ' 548' ' ' ILE . 1.6 mt-30 -144.41 140.63 29.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.632 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 539' ' ' VAL . . . . . 0.491 ' HA ' HG22 ' W' ' 545' ' ' THR . 7.3 p -79.02 136.23 24.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 540' ' ' ALA . . . . . 0.806 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -101.52 168.54 8.95 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 541' ' ' PRO . . . . . 0.797 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 54.3 Cg_endo -69.79 -23.92 30.14 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.513 2.142 . . . . 0.0 112.113 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 542' ' ' ASN . . . . . 0.411 ' ND2' ' HD2' ' W' ' 544' ' ' ARG . 35.5 t-20 -52.62 -31.92 39.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.712 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 123.13 -8.15 9.13 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.036 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 544' ' ' ARG . . . . . 0.524 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.1 OUTLIER -129.57 158.59 38.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.992 0.425 . . . . 0.0 111.25 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' W' W ' 545' ' ' THR . . . . . 0.491 HG22 ' HA ' ' W' ' 539' ' ' VAL . 2.1 p -87.88 147.11 25.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.212 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 546' ' ' PHE . . . . . 0.806 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 4.0 p90 -120.16 -175.04 2.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.044 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 547' ' ' PHE . . . . . 0.522 ' CE2' HD23 ' W' ' 531' ' ' LEU . 2.5 m-85 -125.78 116.39 21.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.748 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 548' ' ' ILE . . . . . 0.487 HD11 ' HB2' ' W' ' 538' ' ' GLN . 3.5 mt -79.89 135.75 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -102.72 111.96 24.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.656 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 550' ' ' HIS . . . . . 0.411 ' HB2' ' HB3' ' W' ' 534' ' ' ARG . 29.2 m-70 -81.32 -23.54 37.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.074 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 551' ' ' ALA . . . . . 0.434 ' N ' ' HB3' ' W' ' 534' ' ' ARG . . . -59.93 -38.92 83.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.067 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.52 19.47 3.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.93 76.44 0.11 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.81 0.338 . . . . 0.0 111.166 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -150.02 -162.95 1.66 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.954 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 59.8 p -155.22 157.92 38.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 556' ' ' THR . . . . . 0.458 HG22 ' HZ3' ' W' ' 535' ' ' TRP . 4.3 t -155.61 157.08 36.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.046 0.45 . . . . 0.0 111.219 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 557' ' ' TRP . . . . . 0.524 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 17.0 m95 -80.71 -21.41 41.24 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.807 -179.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 558' ' ' ILE . . . . . 0.6 HG23 ' C ' ' W' ' 564' ' ' ARG . 2.6 mt -100.29 133.29 43.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.952 0.406 . . . . 0.0 111.527 -179.051 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 559' ' ' ASP . . . . . 0.421 ' CB ' ' CE1' ' W' ' 547' ' ' PHE . 2.7 p30 -72.31 141.06 82.92 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.99 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 560' ' ' PRO . . . . . 0.556 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 22.0 Cg_endo -84.34 -27.33 1.47 Allowed 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.536 2.157 . . . . 0.0 111.948 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 561' ' ' ARG . . . . . 0.452 ' NE ' ' HB3' ' W' ' 529' ' ' GLU . 0.3 OUTLIER -54.61 -24.03 19.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.894 179.828 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -139.26 -57.31 0.59 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.593 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 121.62 34.31 0.87 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.414 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 564' ' ' ARG . . . . . 0.6 ' C ' HG23 ' W' ' 558' ' ' ILE . 0.0 OUTLIER -125.45 143.11 51.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 110.933 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' W' W ' 565' ' ' ALA . . . . . 0.412 ' HA ' ' HA ' ' W' ' 558' ' ' ILE . . . -55.67 133.68 50.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 99.989999999999995 110.85 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 227' ' ' THR . . . . . 0.407 ' OG1' ' N ' ' P' ' 228' ' ' GLY . 73.1 p . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.841 0.353 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 228' ' ' GLY . . . . . 0.407 ' N ' ' OG1' ' P' ' 227' ' ' THR . . . 99.02 -140.12 14.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.677 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 229' ' ' LEU . . . . . 0.504 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 32.0 tp 64.01 76.25 0.35 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.74 0.305 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -61.99 99.11 0.18 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.595 2.197 . . . . 0.0 112.122 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 10.4 p -49.55 156.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.015 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 232' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -50.07 92.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.004 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 171.51 -32.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.91 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.4 -44.06 5.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.009 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -81.19 64.53 5.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.052 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.21 35.58 1.35 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 33.5 m170 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 99.989999999999995 110.847 180.0 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' W' W ' 521' ' ' GLY . . . . . 0.57 ' N ' ' HD2' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.453 0 N-CA-C 110.099 -1.2 . . . . 99.989999999999995 110.099 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 522' ' ' PRO . . . . . 0.57 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 70.4 Cg_endo -74.69 179.18 6.23 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.632 2.221 . . . . 0.0 112.288 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 523' ' ' LEU . . . . . 0.402 HD12 ' H ' ' W' ' 523' ' ' LEU . 2.4 mp -66.21 98.72 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -59.78 144.0 46.52 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.488 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.04 144.89 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.858 0.361 . . . . 0.0 110.937 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . 98.69 151.87 27.27 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.474 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.87 67.26 0.93 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.835 0.35 . . . . 0.0 110.781 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -136.62 116.1 12.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.962 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 529' ' ' GLU . . . . . 0.424 ' HB3' ' CD ' ' W' ' 561' ' ' ARG . 21.0 mt-10 61.86 89.55 0.1 Allowed Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.998 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -80.4 54.82 5.4 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.904 2.403 . . . . 0.0 112.97 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 531' ' ' LEU . . . . . 0.787 HD13 ' HA ' ' W' ' 536' ' ' SER . 1.1 mt 59.97 114.85 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.768 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 532' ' ' PRO . . . . . 0.541 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 92.4 Cg_exo -46.5 179.76 0.0 OUTLIER 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 123.005 2.47 . . . . 0.0 112.831 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 533' ' ' PRO . . . . . 0.541 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 25.2 Cg_exo -36.04 -62.36 0.25 Allowed 'Trans proline' 0 CA--C 1.517 -0.37 0 C-N-CA 123.473 2.782 . . . . 0.0 114.667 -179.084 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 534' ' ' ARG . . . . . 0.474 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 10.5 mmm180 -116.33 73.37 0.85 Allowed 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.759 -178.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 535' ' ' TRP . . . . . 0.565 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 83.7 m95 -157.38 152.63 26.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.796 -179.454 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 536' ' ' SER . . . . . 0.787 ' HA ' HD13 ' W' ' 531' ' ' LEU . 1.4 m -146.06 -171.87 3.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.068 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 537' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.04 134.17 18.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.943 0.402 . . . . 0.0 110.99 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 538' ' ' GLN . . . . . 0.475 ' O ' ' CD1' ' W' ' 546' ' ' PHE . 0.0 OUTLIER -145.06 141.79 29.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.801 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' W' W ' 539' ' ' VAL . . . . . 0.855 HG22 ' CG2' ' W' ' 545' ' ' THR . 39.9 t -76.15 139.44 18.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.0 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 540' ' ' ALA . . . . . 0.817 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -109.63 165.57 12.4 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.415 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 541' ' ' PRO . . . . . 0.7 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 47.8 Cg_endo -68.55 -24.96 35.32 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.603 2.202 . . . . 0.0 111.838 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -53.18 -36.79 61.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.723 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 128.8 -9.53 6.39 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.06 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 544' ' ' ARG . . . . . 0.527 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 1.3 ptm180 -128.04 156.81 42.17 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.003 0.43 . . . . 0.0 111.342 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 545' ' ' THR . . . . . 0.855 ' CG2' HG22 ' W' ' 539' ' ' VAL . 1.4 p -83.29 146.42 28.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.165 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 546' ' ' PHE . . . . . 0.817 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 9.1 p90 -122.13 -174.63 2.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 547' ' ' PHE . . . . . 0.505 ' CE1' ' HB3' ' W' ' 559' ' ' ASP . 3.3 m-85 -114.33 165.59 12.55 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.08 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 548' ' ' ILE . . . . . 0.432 ' CG2' ' CD2' ' P' ' 232' ' ' TYR . 16.6 mt -130.9 108.47 15.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.388 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 549' ' ' ASP . . . . . 0.49 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 19.7 t70 -82.87 109.04 16.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.78 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 550' ' ' HIS . . . . . 0.419 ' HB2' ' HB3' ' W' ' 534' ' ' ARG . 35.3 m-70 -80.16 -25.51 39.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -57.87 -30.99 66.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.28 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.83 20.18 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.303 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 5.9 mmt85 47.28 76.17 0.11 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.218 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -149.53 -173.84 4.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.85 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 555' ' ' THR . . . . . 0.694 ' HB ' HD11 ' P' ' 229' ' ' LEU . 71.1 p -146.12 158.32 43.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.94 0.4 . . . . 0.0 111.405 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 556' ' ' THR . . . . . 0.42 HG23 ' HB2' ' W' ' 547' ' ' PHE . 7.4 t -151.07 164.21 36.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.263 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 557' ' ' TRP . . . . . 0.527 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 14.8 m95 -89.86 -16.26 30.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.964 -179.48 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 558' ' ' ILE . . . . . 0.553 HD13 ' HA ' ' W' ' 565' ' ' ALA . 10.0 mm -114.45 143.83 23.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.017 0.437 . . . . 0.0 111.782 -179.042 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 559' ' ' ASP . . . . . 0.505 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 2.1 p30 -76.07 141.54 71.16 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.695 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 560' ' ' PRO . . . . . 0.565 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 30.2 Cg_endo -86.01 -23.44 2.01 Favored 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 122.629 2.219 . . . . 0.0 112.222 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 561' ' ' ARG . . . . . 0.424 ' CD ' ' HB3' ' W' ' 529' ' ' GLU . 0.0 OUTLIER -53.69 -29.66 40.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.008 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' W' W ' 562' ' ' ASN . . . . . 0.404 ' ND2' ' OD1' ' W' ' 559' ' ' ASP . 11.8 p30 -145.28 -47.59 0.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.04 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 121.75 30.01 1.32 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.88 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 43.8 mtp85 -111.58 148.09 34.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 110.877 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 565' ' ' ALA . . . . . 0.553 ' HA ' HD13 ' W' ' 558' ' ' ILE . . . -62.72 144.93 55.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 10.5 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 99.989999999999995 110.95 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.799 0.333 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 228' ' ' GLY . . . . . 0.401 ' O ' ' HD3' ' P' ' 230' ' ' PRO . . . -157.24 86.14 0.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.543 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 229' ' ' LEU . . . . . 0.694 HD11 ' HB ' ' W' ' 555' ' ' THR . 25.3 tp -112.7 90.49 15.17 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.744 0.307 . . . . 0.0 110.886 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 230' ' ' PRO . . . . . 0.811 ' HB2' ' HB2' ' P' ' 235' ' ' ALA . 46.8 Cg_exo -55.86 121.18 9.51 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.496 2.13 . . . . 0.0 112.221 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 231' ' ' SER . . . . . 0.415 ' O ' ' N ' ' P' ' 233' ' ' ASP . 4.1 m -63.22 166.38 6.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.888 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 232' ' ' TYR . . . . . 0.432 ' CD2' ' CG2' ' W' ' 548' ' ' ILE . 2.4 t80 -56.24 86.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 233' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' P' ' 231' ' ' SER . 0.7 OUTLIER 177.1 -82.26 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.146 179.891 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -59.71 -22.95 62.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.226 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 235' ' ' ALA . . . . . 0.811 ' HB2' ' HB2' ' P' ' 230' ' ' PRO . . . -89.65 59.9 4.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.242 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.03 26.64 1.5 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.057 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 99.989999999999995 110.834 179.915 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' W' W ' 521' ' ' GLY . . . . . 0.536 ' N ' ' HD2' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.484 0 N-CA-C 110.105 -1.198 . . . . 99.989999999999995 110.105 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 522' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 71.8 Cg_endo -77.2 -19.32 13.61 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.664 2.243 . . . . 0.0 112.544 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.36 33.45 2.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.081 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -91.82 40.62 2.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.533 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.58 31.26 3.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.926 0.393 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . 147.77 132.93 2.28 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.606 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -143.42 47.62 1.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.657 0.265 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -113.53 22.08 14.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.192 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 529' ' ' GLU . . . . . 0.431 ' O ' ' NE ' ' W' ' 561' ' ' ARG . 5.2 tp10 50.3 79.34 0.35 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.041 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -47.35 164.55 0.13 Allowed 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.446 2.097 . . . . 0.0 112.347 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 531' ' ' LEU . . . . . 0.894 HD23 ' CE2' ' W' ' 547' ' ' PHE . 0.2 OUTLIER -69.82 136.72 87.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.4 179.629 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' W' W ' 532' ' ' PRO . . . . . 0.469 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 81.9 Cg_exo -48.15 179.65 0.01 OUTLIER 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 122.501 2.134 . . . . 0.0 112.724 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 533' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 82.3 Cg_exo -43.65 -50.67 6.85 Favored 'Trans proline' 0 CA--C 1.516 -0.406 0 C-N-CA 123.383 2.722 . . . . 0.0 115.179 -178.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 534' ' ' ARG . . . . . 0.481 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 23.3 mmt180 -120.88 67.17 0.86 Allowed 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.629 -178.263 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 535' ' ' TRP . . . . . 0.557 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 81.0 m95 -154.22 156.14 36.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.159 0.505 . . . . 0.0 111.958 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 536' ' ' SER . . . . . 0.84 ' HA ' HD13 ' W' ' 531' ' ' LEU . 2.1 m -143.73 -171.78 3.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.057 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 537' ' ' MET . . . . . 0.456 ' HG3' HD21 ' W' ' 531' ' ' LEU . 0.3 OUTLIER -149.4 141.13 23.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.954 0.407 . . . . 0.0 111.455 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' W' W ' 538' ' ' GLN . . . . . 0.464 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 0.0 OUTLIER -164.22 135.91 4.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.486 179.767 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' W' W ' 539' ' ' VAL . . . . . 0.911 HG22 HG23 ' W' ' 545' ' ' THR . 21.3 t -69.35 141.03 17.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.962 0.41 . . . . 0.0 111.471 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 540' ' ' ALA . . . . . 0.918 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -107.68 169.78 6.29 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.1 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 541' ' ' PRO . . . . . 0.805 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 58.3 Cg_endo -71.4 -18.9 29.42 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.656 2.237 . . . . 0.0 112.398 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -60.54 -34.96 74.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 129.83 -12.81 5.87 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.593 -0.813 . . . . 0.0 113.007 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 544' ' ' ARG . . . . . 0.518 ' HG3' ' CE3' ' W' ' 557' ' ' TRP . 2.2 ptm180 -127.67 158.8 36.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.9 0.35 . . . . 0.0 111.14 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 545' ' ' THR . . . . . 0.911 HG23 HG22 ' W' ' 539' ' ' VAL . 0.6 OUTLIER -82.7 146.76 28.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.243 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' W' W ' 546' ' ' PHE . . . . . 0.918 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 4.1 p90 -122.29 161.57 23.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.071 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 547' ' ' PHE . . . . . 0.894 ' CE2' HD23 ' W' ' 531' ' ' LEU . 1.9 m-85 -102.68 122.39 44.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.979 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 548' ' ' ILE . . . . . 0.504 ' CG2' ' CD2' ' P' ' 232' ' ' TYR . 2.9 mp -80.6 133.88 28.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.837 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 549' ' ' ASP . . . . . 0.473 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 17.7 t0 -108.57 107.09 17.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -78.68 -26.64 45.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.018 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -56.4 -26.15 52.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.9 16.75 1.41 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.435 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? 50.26 65.86 1.32 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.817 0.341 . . . . 0.0 111.039 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.54 -162.05 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.067 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 555' ' ' THR . . . . . 0.527 ' O ' HD21 ' P' ' 229' ' ' LEU . 46.5 p -156.83 161.73 39.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.966 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 556' ' ' THR . . . . . 0.598 ' N ' HD11 ' P' ' 229' ' ' LEU . 14.5 t -155.62 167.37 30.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.95 0.405 . . . . 0.0 111.325 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 557' ' ' TRP . . . . . 0.518 ' CE3' ' HG3' ' W' ' 544' ' ' ARG . 11.5 m95 -93.76 -21.3 19.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.502 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 558' ' ' ILE . . . . . 0.543 HD13 ' HA ' ' W' ' 565' ' ' ALA . 5.0 mm -105.57 133.46 49.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.333 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 559' ' ' ASP . . . . . 0.505 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 8.8 p30 -69.55 143.88 93.45 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.231 -179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 560' ' ' PRO . . . . . 0.557 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 37.5 Cg_endo -87.48 -20.27 2.14 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 122.742 2.295 . . . . 0.0 112.292 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 561' ' ' ARG . . . . . 0.431 ' NE ' ' O ' ' W' ' 529' ' ' GLU . 0.1 OUTLIER -56.57 -27.75 58.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.036 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' W' W ' 562' ' ' ASN . . . . . 0.403 ' ND2' ' HD2' ' W' ' 561' ' ' ARG . 8.1 p30 -144.27 -49.36 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 117.84 44.16 0.55 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -134.2 146.86 50.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.78 0.324 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 565' ' ' ALA . . . . . 0.543 ' HA ' HD13 ' W' ' 558' ' ' ILE . . . -54.76 112.54 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.03 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 36.8 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 99.989999999999995 110.966 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 71.0 p . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.799 0.333 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . 146.79 -29.06 1.58 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.543 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 229' ' ' LEU . . . . . 0.598 HD11 ' N ' ' W' ' 556' ' ' THR . 49.7 tp -48.25 103.34 0.36 Allowed Pre-proline 0 C--N 1.331 -0.22 0 CA-C-O 120.47 0.176 . . . . 0.0 111.0 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 230' ' ' PRO . . . . . 0.404 ' HG2' ' CZ ' ' W' ' 546' ' ' PHE . 33.5 Cg_exo -58.94 -151.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.219 1.946 . . . . 0.0 111.648 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 231' ' ' SER . . . . . 0.417 ' O ' ' N ' ' P' ' 233' ' ' ASP . 9.4 p -156.44 152.12 27.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.782 0.325 . . . . 0.0 110.956 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 232' ' ' TYR . . . . . 0.504 ' CD2' ' CG2' ' W' ' 548' ' ' ILE . 2.5 t80 -55.4 87.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.735 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 233' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' P' ' 231' ' ' SER . 40.3 t0 -177.99 -66.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -96.54 24.96 5.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.894 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -130.87 41.9 3.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.995 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 1.2 mp -136.56 -45.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 99.989999999999995 110.912 179.956 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' W' W ' 521' ' ' GLY . . . . . 0.583 ' N ' ' HD2' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.475 0 N-CA-C 110.109 -1.196 . . . . 99.989999999999995 110.109 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 522' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 73.2 Cg_endo -74.24 -31.86 7.19 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.585 2.19 . . . . 0.0 112.239 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -158.34 49.08 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.951 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -89.0 88.5 1.53 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.49 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 77.1 p -104.76 -30.63 9.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.841 0.353 . . . . 0.0 110.932 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . 120.18 153.6 9.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.544 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -84.4 82.51 8.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.746 0.308 . . . . 0.0 111.016 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 69.47 90.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 529' ' ' GLU . . . . . 0.422 ' O ' ' CZ ' ' W' ' 561' ' ' ARG . 1.5 tp10 -76.91 135.84 67.07 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.769 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_exo -56.61 152.12 42.9 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.579 2.186 . . . . 0.0 112.608 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 531' ' ' LEU . . . . . 0.634 ' N ' HD22 ' W' ' 531' ' ' LEU . 2.1 mm? -80.55 145.31 58.55 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.506 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 532' ' ' PRO . . . . . 0.481 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 75.0 Cg_exo -48.94 -178.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.603 2.202 . . . . 0.0 112.798 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 533' ' ' PRO . . . . . 0.481 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 92.1 Cg_exo -45.5 -43.01 18.15 Favored 'Trans proline' 0 CA--C 1.516 -0.409 0 C-N-CA 123.312 2.675 . . . . 0.0 114.898 -178.641 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 534' ' ' ARG . . . . . 0.446 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 13.3 mmm180 -127.43 64.23 1.34 Allowed 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.529 -178.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 535' ' ' TRP . . . . . 0.535 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 67.0 m95 -149.79 160.55 43.47 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.162 0.506 . . . . 0.0 112.181 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 536' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.3 -156.31 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.386 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 537' ' ' MET . . . . . 0.435 ' HG3' HD11 ' W' ' 531' ' ' LEU . 26.9 mtp -157.13 131.64 8.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 0.0 111.034 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 538' ' ' GLN . . . . . 0.515 ' HB2' HD11 ' W' ' 548' ' ' ILE . 0.3 OUTLIER -149.86 150.09 31.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.953 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' W' W ' 539' ' ' VAL . . . . . 0.474 ' HA ' HG22 ' W' ' 545' ' ' THR . 14.4 p -92.45 136.4 24.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.896 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 540' ' ' ALA . . . . . 0.795 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -106.97 167.1 9.96 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.157 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 541' ' ' PRO . . . . . 0.753 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 57.6 Cg_endo -71.07 -23.26 25.11 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.5 2.134 . . . . 0.0 111.961 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 542' ' ' ASN . . . . . 0.431 ' ND2' ' HD3' ' W' ' 544' ' ' ARG . 30.5 t30 -51.58 -31.11 23.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.621 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 122.68 -9.69 9.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.599 -0.81 . . . . 0.0 113.05 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 544' ' ' ARG . . . . . 0.514 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 0.2 OUTLIER -131.1 153.92 48.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.986 0.422 . . . . 0.0 111.295 -179.794 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' W' W ' 545' ' ' THR . . . . . 0.474 HG22 ' HA ' ' W' ' 539' ' ' VAL . 0.9 OUTLIER -81.0 146.56 30.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.506 179.592 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' W' W ' 546' ' ' PHE . . . . . 0.795 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 6.3 p90 -118.07 -175.62 2.89 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.209 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 547' ' ' PHE . . . . . 0.496 ' CZ ' ' HB3' ' W' ' 559' ' ' ASP . 12.1 m-85 -123.2 121.54 36.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.156 0.503 . . . . 0.0 110.687 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 548' ' ' ILE . . . . . 0.515 HD11 ' HB2' ' W' ' 538' ' ' GLN . 3.7 mp -86.32 140.36 15.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.481 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 549' ' ' ASP . . . . . 0.444 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 61.3 t0 -121.01 114.44 21.51 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 550' ' ' HIS . . . . . 0.437 ' HB3' ' CZ ' ' W' ' 534' ' ' ARG . 5.7 m80 -81.85 -20.08 39.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.254 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.68 -34.84 79.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.34 . . . . 0.0 111.255 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.72 3.08 8.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.787 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 553' ' ' ARG . . . . . 0.49 ' HA ' ' CD2' ' P' ' 232' ' ' TYR . 0.8 OUTLIER 58.24 48.63 12.37 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.742 0.306 . . . . 0.0 110.877 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -145.36 158.48 43.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 555' ' ' THR . . . . . 0.502 ' OG1' HD21 ' P' ' 229' ' ' LEU . 61.7 p -110.37 169.81 8.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.769 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 556' ' ' THR . . . . . 0.552 ' N ' HD11 ' P' ' 229' ' ' LEU . 1.8 t -158.35 160.21 36.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.002 0.43 . . . . 0.0 111.324 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 557' ' ' TRP . . . . . 0.514 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 20.4 m95 -91.61 15.87 11.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.392 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -133.28 141.37 44.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.932 0.396 . . . . 0.0 111.319 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 559' ' ' ASP . . . . . 0.496 ' HB3' ' CZ ' ' W' ' 547' ' ' PHE . 2.2 p30 -84.29 133.2 45.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.097 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 560' ' ' PRO . . . . . 0.535 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 17.6 Cg_endo -81.91 -32.57 0.77 Allowed 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.334 2.023 . . . . 0.0 111.632 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 561' ' ' ARG . . . . . 0.422 ' CZ ' ' O ' ' W' ' 529' ' ' GLU . 0.2 OUTLIER -49.7 -25.74 3.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.889 179.666 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -136.45 -48.16 0.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.713 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 108.66 44.2 1.16 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.302 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.17 154.66 50.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.808 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -68.08 145.83 54.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.191 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 99.989999999999995 110.781 179.902 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.868 0.366 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . -142.54 79.31 0.26 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.41 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 229' ' ' LEU . . . . . 0.552 HD11 ' N ' ' W' ' 556' ' ' THR . 0.4 OUTLIER -99.6 106.25 38.81 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.535 0.207 . . . . 0.0 110.966 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' P' P ' 230' ' ' PRO . . . . . 0.86 ' HB2' ' HB2' ' P' ' 235' ' ' ALA . 14.4 Cg_exo -69.08 104.6 1.24 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.651 2.234 . . . . 0.0 112.085 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 231' ' ' SER . . . . . 0.403 ' O ' ' N ' ' P' ' 233' ' ' ASP . 6.9 t -54.45 164.5 0.7 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 232' ' ' TYR . . . . . 0.49 ' CD2' ' HA ' ' W' ' 553' ' ' ARG . 0.2 OUTLIER -60.86 82.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' P' P ' 233' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' P' ' 231' ' ' SER . 0.6 OUTLIER 177.17 -50.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.003 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -85.07 -28.82 25.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.025 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 235' ' ' ALA . . . . . 0.86 ' HB2' ' HB2' ' P' ' 230' ' ' PRO . . . -91.29 70.4 6.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 236' ' ' LEU . . . . . 0.421 HD12 ' C ' ' P' ' 235' ' ' ALA . 5.1 mp -137.46 48.68 2.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.969 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 8.0 p80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 99.989999999999995 110.859 179.933 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' W' W ' 521' ' ' GLY . . . . . 0.472 ' N ' ' CD ' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 110.116 -1.193 . . . . 99.989999999999995 110.116 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 522' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' W' ' 521' ' ' GLY . 52.9 Cg_exo -54.81 -34.43 85.04 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.599 2.199 . . . . 0.0 112.29 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.71 37.65 4.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -56.04 166.57 3.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 22.9 m -106.97 -37.87 6.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 0.0 110.952 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -130.81 127.12 5.1 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.58 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -94.36 -59.74 1.88 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.812 0.339 . . . . 0.0 111.04 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.75 134.29 52.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 529' ' ' GLU . . . . . 0.42 ' O ' ' CZ ' ' W' ' 561' ' ' ARG . 10.3 tp10 -99.63 117.2 64.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.768 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -49.63 138.93 31.77 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.478 2.119 . . . . 0.0 112.631 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 531' ' ' LEU . . . . . 0.789 HD22 ' CA ' ' W' ' 536' ' ' SER . 0.3 OUTLIER -70.73 140.9 86.89 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.651 179.676 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' W' W ' 532' ' ' PRO . . . . . 0.533 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 95.5 Cg_exo -48.3 -177.66 0.0 OUTLIER 'Trans proline' 0 CA--C 1.534 0.486 0 C-N-CA 122.941 2.427 . . . . 0.0 112.86 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 533' ' ' PRO . . . . . 0.533 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 51.4 Cg_exo -40.29 -57.33 1.23 Allowed 'Trans proline' 0 CA--C 1.514 -0.5 0 C-N-CA 123.459 2.772 . . . . 0.0 114.949 -178.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 534' ' ' ARG . . . . . 0.423 ' HB3' ' N ' ' W' ' 551' ' ' ALA . 5.8 mmm180 -121.24 71.49 0.95 Allowed 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.032 -178.347 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 535' ' ' TRP . . . . . 0.55 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 80.8 m95 -153.47 153.22 32.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.06 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 536' ' ' SER . . . . . 0.789 ' CA ' HD22 ' W' ' 531' ' ' LEU . 3.2 m -149.69 -173.74 4.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.305 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 537' ' ' MET . . . . . 0.447 ' SD ' ' CE1' ' W' ' 547' ' ' PHE . 0.0 OUTLIER -145.02 139.04 27.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.896 0.379 . . . . 0.0 111.072 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' W' W ' 538' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -148.96 154.15 38.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.719 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 539' ' ' VAL . . . . . 0.485 ' CA ' HG22 ' W' ' 545' ' ' THR . 7.6 p -96.93 133.32 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.325 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 540' ' ' ALA . . . . . 0.931 ' HB1' ' HD2' ' W' ' 541' ' ' PRO . . . -107.53 175.58 1.96 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.975 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 541' ' ' PRO . . . . . 0.931 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 73.7 Cg_endo -77.14 -20.24 12.98 Favored 'Trans proline' 0 N--CA 1.463 -0.288 0 C-N-CA 122.458 2.105 . . . . 0.0 112.019 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -51.17 -36.18 39.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.569 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 129.03 -12.61 6.09 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.911 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 544' ' ' ARG . . . . . 0.503 ' HG2' ' CH2' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.44 156.48 45.55 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.976 0.417 . . . . 0.0 111.453 -179.799 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' W' W ' 545' ' ' THR . . . . . 0.485 HG22 ' CA ' ' W' ' 539' ' ' VAL . 1.4 p -83.3 146.84 28.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.847 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 546' ' ' PHE . . . . . 0.78 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 7.0 p90 -120.57 -175.13 2.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.935 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 547' ' ' PHE . . . . . 0.622 ' CE2' HD23 ' W' ' 531' ' ' LEU . 3.1 m-85 -114.67 164.5 13.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.078 179.409 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 548' ' ' ILE . . . . . 0.784 HG12 HG22 ' W' ' 555' ' ' THR . 17.4 mt -132.82 107.35 11.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.306 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 549' ' ' ASP . . . . . 0.486 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 32.7 t0 -79.5 109.26 13.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.625 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 550' ' ' HIS . . . . . 0.414 ' HB2' ' HB3' ' W' ' 534' ' ' ARG . 31.5 m-70 -76.94 -20.25 56.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.414 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 551' ' ' ALA . . . . . 0.423 ' N ' ' HB3' ' W' ' 534' ' ' ARG . . . -67.8 -50.21 58.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.881 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.75 -16.21 19.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.214 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 74.92 53.49 0.08 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.894 0.378 . . . . 0.0 110.858 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 554' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' W' ' 549' ' ' ASP . 25.3 mtt-85 -143.35 -177.01 5.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.772 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 555' ' ' THR . . . . . 0.784 HG22 HG12 ' W' ' 548' ' ' ILE . 76.7 p -133.62 159.4 40.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.944 0.402 . . . . 0.0 111.321 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 556' ' ' THR . . . . . 0.471 ' N ' HD11 ' P' ' 229' ' ' LEU . 5.1 t -152.31 164.66 36.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.071 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 557' ' ' TRP . . . . . 0.503 ' CH2' ' HG2' ' W' ' 544' ' ' ARG . 24.7 m95 -88.05 -18.1 29.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.469 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 1.2 mp -100.77 147.97 7.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.909 0.385 . . . . 0.0 111.322 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 559' ' ' ASP . . . . . 0.495 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 2.6 p30 -95.78 145.0 28.78 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.117 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 560' ' ' PRO . . . . . 0.55 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 12.5 Cg_endo -83.14 -32.63 0.49 Allowed 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 122.45 2.1 . . . . 0.0 111.888 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 561' ' ' ARG . . . . . 0.42 ' CZ ' ' O ' ' W' ' 529' ' ' GLU . 0.6 OUTLIER -55.29 -24.29 27.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.93 179.786 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -136.3 -67.0 0.52 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.625 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 124.63 37.07 0.56 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.408 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.24 152.11 49.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.837 0.351 . . . . 0.0 111.042 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -57.99 90.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 99.989999999999995 110.852 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.807 0.337 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' P' P ' 228' ' ' GLY . . . . . 0.407 ' O ' ' HD3' ' P' ' 230' ' ' PRO . . . -138.34 30.91 2.48 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.505 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 229' ' ' LEU . . . . . 0.471 HD11 ' N ' ' W' ' 556' ' ' THR . 0.4 OUTLIER -107.28 97.88 20.61 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-O 120.613 0.244 . . . . 0.0 110.994 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' P' P ' 230' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' P' ' 228' ' ' GLY . 63.2 Cg_exo -51.49 -172.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.629 2.219 . . . . 0.0 112.301 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 2.1 m -106.49 177.18 4.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.114 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 232' ' ' TYR . . . . . 0.485 ' CD2' HG23 ' W' ' 548' ' ' ILE . 6.9 t80 -70.99 -36.38 72.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.003 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -80.47 -30.68 37.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.022 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -96.2 29.85 2.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.82 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -156.63 60.26 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.76 53.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 7.4 p80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 99.989999999999995 110.844 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' W' W ' 521' ' ' GLY . . . . . 0.48 ' N ' ' CD ' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.442 0 N-CA-C 110.119 -1.192 . . . . 99.989999999999995 110.119 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 522' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' W' ' 521' ' ' GLY . 39.4 Cg_exo -56.89 -41.44 75.37 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.539 2.159 . . . . 0.0 112.216 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.08 39.53 1.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -139.47 34.56 2.04 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.15 99.92 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.791 0.329 . . . . 0.0 110.79 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -122.65 76.34 0.36 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.598 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.94 124.81 45.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.717 0.294 . . . . 0.0 110.813 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -141.74 111.41 6.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.015 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 529' ' ' GLU . . . . . 0.409 ' HB3' ' HD3' ' W' ' 561' ' ' ARG . 5.2 tp10 -58.91 117.58 22.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.704 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -57.06 153.87 36.36 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.389 2.06 . . . . 0.0 112.409 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 531' ' ' LEU . . . . . 0.939 HD23 ' CE2' ' W' ' 547' ' ' PHE . 0.2 OUTLIER -70.98 146.54 93.05 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.223 179.543 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' W' W ' 532' ' ' PRO . . . . . 0.448 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 74.5 Cg_exo -49.13 -179.6 0.01 OUTLIER 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.348 2.032 . . . . 0.0 112.563 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 533' ' ' PRO . . . . . 0.448 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 86.4 Cg_exo -47.45 -40.34 29.14 Favored 'Trans proline' 0 CA--C 1.517 -0.37 0 C-N-CA 123.328 2.685 . . . . 0.0 115.262 -178.346 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 534' ' ' ARG . . . . . 0.413 ' HB3' ' HB2' ' W' ' 550' ' ' HIS . 7.7 mmm180 -130.35 61.89 1.59 Allowed 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.723 -178.097 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 535' ' ' TRP . . . . . 0.542 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 65.8 m95 -146.73 165.36 29.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.383 0.611 . . . . 0.0 112.609 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 536' ' ' SER . . . . . 0.738 ' HA ' HD13 ' W' ' 531' ' ' LEU . 3.5 m -153.51 -174.07 4.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.177 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 537' ' ' MET . . . . . 0.448 ' SD ' ' CE1' ' W' ' 547' ' ' PHE . 0.5 OUTLIER -142.06 144.2 33.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.873 0.368 . . . . 0.0 111.066 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' W' W ' 538' ' ' GLN . . . . . 0.437 ' HB3' ' CZ ' ' W' ' 546' ' ' PHE . 0.0 OUTLIER -158.77 140.44 13.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.897 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' W' W ' 539' ' ' VAL . . . . . 0.541 ' HA ' HG22 ' W' ' 545' ' ' THR . 11.7 p -87.95 127.07 41.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 540' ' ' ALA . . . . . 0.806 ' HB1' ' HD2' ' W' ' 541' ' ' PRO . . . -96.13 168.91 9.81 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 541' ' ' PRO . . . . . 0.806 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 60.2 Cg_endo -72.7 -23.12 19.78 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.615 2.21 . . . . 0.0 111.935 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -50.2 -41.15 49.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.753 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 135.17 -10.7 4.44 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.947 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 544' ' ' ARG . . . . . 0.487 ' HG3' ' CZ3' ' W' ' 557' ' ' TRP . 1.2 ptp180 -129.31 158.12 39.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.948 0.404 . . . . 0.0 111.221 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 545' ' ' THR . . . . . 0.541 HG22 ' HA ' ' W' ' 539' ' ' VAL . 0.6 OUTLIER -88.77 147.12 24.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.646 179.643 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' W' W ' 546' ' ' PHE . . . . . 0.744 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 3.3 p90 -119.51 177.58 4.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.085 0.469 . . . . 0.0 111.473 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 547' ' ' PHE . . . . . 0.939 ' CE2' HD23 ' W' ' 531' ' ' LEU . 0.4 OUTLIER -119.88 117.85 29.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.392 179.622 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' W' W ' 548' ' ' ILE . . . . . 0.521 HG23 ' CD2' ' P' ' 232' ' ' TYR . 2.6 mp -81.56 136.07 23.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.557 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 549' ' ' ASP . . . . . 0.48 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 26.0 t70 -110.21 111.19 22.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.685 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 550' ' ' HIS . . . . . 0.413 ' HB2' ' HB3' ' W' ' 534' ' ' ARG . 9.7 m-70 -76.7 -28.82 56.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.11 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -52.91 -55.14 25.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.365 . . . . 0.0 111.095 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.94 -13.99 15.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.48 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 553' ' ' ARG . . . . . 0.449 ' HA ' ' CD2' ' P' ' 232' ' ' TYR . 0.4 OUTLIER 75.5 63.85 0.06 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.885 0.374 . . . . 0.0 110.692 -179.693 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -144.77 -174.8 4.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.744 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 70.2 p -135.36 162.1 33.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.076 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 556' ' ' THR . . . . . 0.413 ' O ' ' HB2' ' W' ' 546' ' ' PHE . 4.2 t -160.26 159.27 31.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.273 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 557' ' ' TRP . . . . . 0.491 ' CE3' ' HB3' ' W' ' 546' ' ' PHE . 13.8 m95 -89.2 -10.95 45.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.851 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 558' ' ' ILE . . . . . 0.888 HG23 ' C ' ' W' ' 564' ' ' ARG . 1.3 mt -110.43 129.19 65.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.961 0.41 . . . . 0.0 111.446 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 559' ' ' ASP . . . . . 0.428 ' HA ' ' HD3' ' W' ' 560' ' ' PRO . 0.9 OUTLIER -71.07 142.62 87.72 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.017 -179.783 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' W' W ' 560' ' ' PRO . . . . . 0.542 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 11.1 Cg_endo -81.78 -32.45 0.83 Allowed 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.365 2.044 . . . . 0.0 111.909 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 561' ' ' ARG . . . . . 0.409 ' HD3' ' HB3' ' W' ' 529' ' ' GLU . 1.0 OUTLIER -58.46 -22.61 55.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.946 179.835 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -125.84 -65.81 0.97 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.617 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 118.18 36.19 0.96 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.302 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 564' ' ' ARG . . . . . 0.888 ' C ' HG23 ' W' ' 558' ' ' ILE . 11.9 mtp180 -141.11 155.99 46.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.826 0.346 . . . . 0.0 110.877 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -53.55 132.84 40.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.038 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 12.9 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 99.989999999999995 111.094 -179.915 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.77 0.319 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . 135.95 -24.17 3.31 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 229' ' ' LEU . . . . . 0.438 ' HB2' ' NE1' ' W' ' 557' ' ' TRP . 40.1 tp -58.72 108.09 1.2 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.47 0.176 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -59.91 -153.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.367 2.045 . . . . 0.0 111.941 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 231' ' ' SER . . . . . 0.422 ' O ' ' N ' ' P' ' 233' ' ' ASP . 13.0 m -145.66 161.81 39.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 232' ' ' TYR . . . . . 0.521 ' CD2' HG23 ' W' ' 548' ' ' ILE . 1.3 t80 -63.68 76.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.768 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 233' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' P' ' 231' ' ' SER . 0.3 OUTLIER 176.29 -39.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.644 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -99.76 42.04 1.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.708 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 235' ' ' ALA . . . . . 0.436 ' HB1' ' HG2' ' W' ' 538' ' ' GLN . . . -173.65 36.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.08 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 2.5 tt -137.2 86.46 2.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.796 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 15.3 m80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 99.989999999999995 110.93 -179.959 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' W' W ' 521' ' ' GLY . . . . . 0.573 ' N ' ' HD2' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.469 0 N-CA-C 110.093 -1.203 . . . . 99.989999999999995 110.093 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 522' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 68.6 Cg_endo -74.38 175.87 10.42 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.66 2.24 . . . . 0.0 112.368 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.37 69.92 0.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . 53.49 178.01 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.454 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.78 -24.39 33.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.745 0.307 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . 59.18 176.12 0.83 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.421 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.23 -80.99 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.899 0.381 . . . . 0.0 110.942 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.24 141.42 44.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 529' ' ' GLU . . . . . 0.426 ' O ' ' CZ ' ' W' ' 561' ' ' ARG . 0.3 OUTLIER -52.91 132.65 48.73 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' W' W ' 530' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' W' ' 529' ' ' GLU . 33.9 Cg_exo -59.33 140.61 95.3 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.496 2.13 . . . . 0.0 112.516 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 531' ' ' LEU . . . . . 0.739 HD22 ' CA ' ' W' ' 536' ' ' SER . 0.3 OUTLIER -72.12 146.93 90.44 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.372 179.317 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' W' W ' 532' ' ' PRO . . . . . 0.499 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 71.0 Cg_exo -49.66 -177.76 0.01 OUTLIER 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.375 2.05 . . . . 0.0 112.378 -179.638 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 533' ' ' PRO . . . . . 0.499 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 56.2 Cg_exo -41.82 -48.35 5.99 Favored 'Trans proline' 0 CA--C 1.516 -0.389 0 C-N-CA 123.397 2.732 . . . . 0.0 115.206 -178.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 534' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -129.38 68.73 1.41 Allowed 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.079 -178.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 535' ' ' TRP . . . . . 0.56 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 64.7 m95 -148.03 155.44 41.5 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 536' ' ' SER . . . . . 0.739 ' CA ' HD22 ' W' ' 531' ' ' LEU . 4.8 m -152.33 -173.65 4.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.79 -1.095 . . . . 0.0 109.514 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 537' ' ' MET . . . . . 0.713 ' HG2' HD21 ' W' ' 531' ' ' LEU . 0.0 OUTLIER -159.14 130.05 6.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.087 0.47 . . . . 0.0 111.583 179.504 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' W' W ' 538' ' ' GLN . . . . . 0.582 ' HB2' HD11 ' W' ' 548' ' ' ILE . 1.3 mt-30 -133.69 145.26 49.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.288 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 539' ' ' VAL . . . . . 0.652 ' HA ' HG22 ' W' ' 545' ' ' THR . 12.9 p -75.49 129.85 36.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.954 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 540' ' ' ALA . . . . . 0.838 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -97.85 169.89 7.88 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.239 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 541' ' ' PRO . . . . . 0.798 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 73.3 Cg_endo -76.25 -21.88 13.2 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.553 2.169 . . . . 0.0 111.792 179.433 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -52.82 -49.01 66.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.83 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 148.69 -15.67 1.22 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.403 -0.904 . . . . 0.0 113.098 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 544' ' ' ARG . . . . . 0.5 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.29 152.29 50.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.0 0.429 . . . . 0.0 111.477 -179.76 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' W' W ' 545' ' ' THR . . . . . 0.652 HG22 ' HA ' ' W' ' 539' ' ' VAL . 0.8 OUTLIER -77.44 146.89 36.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.962 179.699 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' W' W ' 546' ' ' PHE . . . . . 0.838 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 7.6 p90 -121.21 167.67 12.44 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.145 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 547' ' ' PHE . . . . . 0.588 ' CE2' HD23 ' W' ' 531' ' ' LEU . 3.5 m-85 -108.33 126.5 52.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.079 0.466 . . . . 0.0 111.225 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 548' ' ' ILE . . . . . 0.582 HD11 ' HB2' ' W' ' 538' ' ' GLN . 3.1 mp -86.52 135.0 26.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.029 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 549' ' ' ASP . . . . . 0.479 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 41.3 t0 -115.02 106.5 14.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.656 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -76.43 -39.4 53.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.161 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -55.51 -28.23 53.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.182 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.92 -11.75 9.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.706 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 553' ' ' ARG . . . . . 0.458 ' HA ' ' CD2' ' P' ' 232' ' ' TYR . 24.8 mmt85 65.21 37.76 6.34 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.763 0.316 . . . . 0.0 110.843 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -139.56 152.97 47.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 555' ' ' THR . . . . . 0.619 HG21 ' O ' ' P' ' 230' ' ' PRO . 60.6 p -103.76 168.83 8.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 556' ' ' THR . . . . . 0.629 ' HA ' HD21 ' P' ' 229' ' ' LEU . 1.5 t -158.86 157.01 30.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.055 0.455 . . . . 0.0 111.355 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 557' ' ' TRP . . . . . 0.5 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 17.3 m95 -80.63 -21.21 41.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.519 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 558' ' ' ILE . . . . . 0.735 HG23 ' C ' ' W' ' 564' ' ' ARG . 1.2 mt -103.58 143.52 15.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.92 0.39 . . . . 0.0 111.547 -179.021 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 559' ' ' ASP . . . . . 0.429 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 3.0 p30 -87.91 145.82 37.41 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.981 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 560' ' ' PRO . . . . . 0.56 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 15.8 Cg_endo -84.6 -31.83 0.42 Allowed 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.565 2.177 . . . . 0.0 112.224 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 561' ' ' ARG . . . . . 0.426 ' CZ ' ' O ' ' W' ' 529' ' ' GLU . 0.6 OUTLIER -52.5 -23.32 6.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.047 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -137.93 -46.07 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.673 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 103.91 37.84 2.86 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.39 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 564' ' ' ARG . . . . . 0.735 ' C ' HG23 ' W' ' 558' ' ' ILE . 0.0 OUTLIER -134.68 151.98 51.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.869 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -60.39 143.33 53.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.438 . . . . 99.989999999999995 110.913 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.813 0.339 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . 173.81 -97.17 0.11 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.466 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 229' ' ' LEU . . . . . 0.629 HD21 ' HA ' ' W' ' 556' ' ' THR . 16.0 tp 66.25 74.89 0.35 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.71 0.291 . . . . 0.0 111.076 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 230' ' ' PRO . . . . . 0.619 ' O ' HG21 ' W' ' 555' ' ' THR . 47.2 Cg_exo -55.82 95.08 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.579 2.186 . . . . 0.0 111.963 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.87 170.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.222 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 232' ' ' TYR . . . . . 0.458 ' CD2' ' HA ' ' W' ' 553' ' ' ARG . 0.7 OUTLIER -66.24 73.07 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.046 -179.885 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -174.78 -39.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -113.26 21.37 15.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.063 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -106.93 -67.69 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.079 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 236' ' ' LEU . . . . . 0.416 ' CD1' ' CE1' ' P' ' 232' ' ' TYR . 0.8 OUTLIER -67.29 142.85 56.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.982 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 99.989999999999995 111.019 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 521' ' ' GLY . . . . . 0.649 ' N ' ' HD2' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.448 0 N-CA-C 110.101 -1.2 . . . . 99.989999999999995 110.101 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 522' ' ' PRO . . . . . 0.649 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 35.1 Cg_endo -65.32 -177.48 0.66 Allowed 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.564 2.176 . . . . 0.0 112.192 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 523' ' ' LEU . . . . . 0.596 ' H ' HD12 ' W' ' 523' ' ' LEU . 4.9 mp -57.24 -41.13 79.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . 133.16 -54.7 0.77 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.497 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 88.4 p -71.09 92.45 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.369 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -116.46 71.35 0.27 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.482 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -86.73 -28.26 23.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -179.42 -37.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.993 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 529' ' ' GLU . . . . . 0.436 ' CG ' ' HB2' ' W' ' 561' ' ' ARG . 4.3 tp10 68.72 90.9 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.724 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -68.7 133.95 28.97 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.567 2.178 . . . . 0.0 112.679 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 531' ' ' LEU . . . . . 0.86 HD22 ' HG3' ' W' ' 537' ' ' MET . 0.0 OUTLIER -39.0 138.73 0.8 Allowed Pre-proline 0 N--CA 1.472 0.673 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.376 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' W' W ' 532' ' ' PRO . . . . . 0.463 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 53.8 Cg_exo -51.61 -175.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.521 2.147 . . . . 0.0 113.015 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 533' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 16.5 Cg_exo -72.19 -2.78 12.15 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 123.534 2.823 . . . . 0.0 115.048 -178.17 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 534' ' ' ARG . . . . . 0.445 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 13.6 mmt180 -149.14 39.77 0.85 Allowed 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 120.084 -0.647 . . . . 0.0 111.75 -178.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 535' ' ' TRP . . . . . 0.533 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 30.0 m95 -140.89 170.0 16.56 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.17 0.509 . . . . 0.0 112.097 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 536' ' ' SER . . . . . 0.844 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.1 OUTLIER -137.13 -158.88 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.29 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' W' W ' 537' ' ' MET . . . . . 0.86 ' HG3' HD22 ' W' ' 531' ' ' LEU . 20.0 mtp -159.15 132.33 7.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.925 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 538' ' ' GLN . . . . . 0.412 ' HG3' ' N ' ' W' ' 539' ' ' VAL . 0.4 OUTLIER -167.3 146.07 4.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.114 -179.839 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' W' W ' 539' ' ' VAL . . . . . 0.529 HG13 ' O ' ' W' ' 539' ' ' VAL . 7.6 p -88.31 111.76 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.622 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 540' ' ' ALA . . . . . 0.777 ' HB1' ' HD2' ' W' ' 541' ' ' PRO . . . -71.31 167.49 29.4 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.397 -179.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 541' ' ' PRO . . . . . 0.777 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 42.4 Cg_endo -67.51 -24.76 41.91 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.55 2.167 . . . . 0.0 111.673 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 542' ' ' ASN . . . . . 0.436 ' ND2' ' HA ' ' P' ' 227' ' ' THR . 56.3 t30 -52.68 -30.37 31.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.523 179.552 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 118.98 -10.42 11.99 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.025 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 544' ' ' ARG . . . . . 0.529 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 12.0 ptp180 -122.63 156.44 34.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.923 0.362 . . . . 0.0 111.075 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 545' ' ' THR . . . . . 0.435 ' HA ' ' HA ' ' W' ' 539' ' ' VAL . 1.2 p -80.98 145.44 31.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.797 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 546' ' ' PHE . . . . . 0.628 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 20.2 p90 -124.68 179.12 5.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.748 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 547' ' ' PHE . . . . . 0.522 ' CG ' ' HD3' ' W' ' 560' ' ' PRO . 0.7 OUTLIER -124.77 119.96 30.4 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.595 179.284 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' W' W ' 548' ' ' ILE . . . . . 0.528 ' CG2' ' CD2' ' P' ' 232' ' ' TYR . 3.0 mt -78.97 136.49 23.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.512 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -106.21 103.23 12.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.09 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -71.57 -24.63 61.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.667 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -55.41 -37.33 67.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.9 15.83 3.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.504 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? 53.8 66.69 1.16 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.731 0.301 . . . . 0.0 111.04 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -146.79 -161.78 1.4 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.116 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 47.3 p -151.2 173.17 14.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.032 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 556' ' ' THR . . . . . 0.721 ' CA ' HD11 ' P' ' 229' ' ' LEU . 2.7 t -166.93 159.78 13.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.92 0.39 . . . . 0.0 111.482 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 557' ' ' TRP . . . . . 0.529 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 15.8 m95 -88.91 15.22 8.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.459 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 558' ' ' ILE . . . . . 0.705 HD13 ' HA ' ' W' ' 565' ' ' ALA . 5.8 mm -130.92 138.64 53.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.003 0.43 . . . . 0.0 111.741 -178.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 559' ' ' ASP . . . . . 0.482 ' HA ' ' CD2' ' W' ' 547' ' ' PHE . 2.2 p30 -76.31 135.26 69.54 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.027 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 560' ' ' PRO . . . . . 0.533 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 74.1 Cg_endo -77.56 -30.75 3.76 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.595 2.197 . . . . 0.0 112.063 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 561' ' ' ARG . . . . . 0.436 ' HB2' ' CG ' ' W' ' 529' ' ' GLU . 0.5 OUTLIER -54.02 -28.04 35.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.991 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -135.87 -69.86 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 110.658 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 133.84 41.06 0.17 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.524 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -127.32 154.0 45.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.947 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 565' ' ' ALA . . . . . 0.705 ' HA ' HD13 ' W' ' 558' ' ' ILE . . . -59.42 89.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.069 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 39.7 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 99.989999999999995 110.862 179.915 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' P' P ' 227' ' ' THR . . . . . 0.436 ' HA ' ' ND2' ' W' ' 542' ' ' ASN . 4.9 t . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.886 0.374 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . -137.81 -83.86 0.12 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.609 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 229' ' ' LEU . . . . . 0.721 HD11 ' CA ' ' W' ' 556' ' ' THR . 18.2 tp 68.95 93.47 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.653 0.263 . . . . 0.0 110.888 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -57.31 -153.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.529 2.153 . . . . 0.0 111.869 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 3.4 t -157.5 49.65 0.43 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.349 . . . . 0.0 111.105 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 232' ' ' TYR . . . . . 0.528 ' CD2' ' CG2' ' W' ' 548' ' ' ILE . 0.5 OUTLIER 51.99 52.35 14.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.671 179.857 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -159.56 -55.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -105.14 58.03 0.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.964 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -176.35 49.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.4 57.39 1.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.681 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 4.6 m170 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 99.989999999999995 110.91 -179.88 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' W' W ' 521' ' ' GLY . . . . . 0.636 ' N ' ' HD2' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.484 0 N-CA-C 110.113 -1.195 . . . . 99.989999999999995 110.113 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 522' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 38.0 Cg_endo -66.44 -167.24 0.12 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.562 2.175 . . . . 0.0 112.302 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 25.7 mt -80.73 90.85 5.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -142.43 147.56 19.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.37 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.93 98.12 6.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.859 0.361 . . . . 0.0 110.986 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . 94.99 164.94 35.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.523 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -77.0 76.69 3.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.714 0.292 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.56 121.54 42.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.982 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 529' ' ' GLU . . . . . 0.413 ' O ' ' CZ ' ' W' ' 561' ' ' ARG . 20.7 tt0 -77.06 116.96 61.83 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.46 178.44 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.384 2.056 . . . . 0.0 112.413 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 531' ' ' LEU . . . . . 0.72 HD23 ' CE2' ' W' ' 547' ' ' PHE . 0.0 OUTLIER -93.16 149.58 37.71 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.223 179.877 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' W' W ' 532' ' ' PRO . . . . . 0.484 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 85.6 Cg_exo -47.9 -179.29 0.01 OUTLIER 'Trans proline' 0 CA--C 1.531 0.361 0 C-N-CA 122.703 2.269 . . . . 0.0 113.329 -179.005 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 533' ' ' PRO . . . . . 0.484 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 87.1 Cg_exo -46.92 -44.09 23.21 Favored 'Trans proline' 0 CA--C 1.514 -0.501 0 C-N-CA 123.447 2.765 . . . . 0.0 114.946 -178.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 534' ' ' ARG . . . . . 0.47 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 17.2 mmm180 -122.8 65.87 0.96 Allowed 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.781 -178.07 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 535' ' ' TRP . . . . . 0.545 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 63.9 m95 -149.92 162.4 40.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.322 0.582 . . . . 0.0 112.273 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 536' ' ' SER . . . . . 0.684 ' HA ' HD13 ' W' ' 531' ' ' LEU . 3.8 m -154.66 -174.43 4.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.226 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 537' ' ' MET . . . . . 0.44 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 17.9 mtm -141.31 151.31 43.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.042 0.449 . . . . 0.0 111.402 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 538' ' ' GLN . . . . . 0.759 ' HB2' HD11 ' W' ' 548' ' ' ILE . 0.4 OUTLIER -165.41 138.54 4.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.494 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' W' W ' 539' ' ' VAL . . . . . 0.406 ' HA ' ' HA ' ' W' ' 545' ' ' THR . 13.3 p -78.48 139.97 17.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.884 0.374 . . . . 0.0 111.154 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 540' ' ' ALA . . . . . 0.864 ' HB1' ' HD2' ' W' ' 541' ' ' PRO . . . -110.19 171.49 4.34 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.176 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 541' ' ' PRO . . . . . 0.864 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 61.4 Cg_endo -73.39 -22.53 18.53 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.538 2.158 . . . . 0.0 111.824 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -51.79 -41.24 61.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.762 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 135.39 -12.55 4.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.593 -0.813 . . . . 0.0 113.009 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 544' ' ' ARG . . . . . 0.514 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 1.0 OUTLIER -131.24 158.12 41.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.97 0.414 . . . . 0.0 111.441 -179.841 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' W' W ' 545' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' W' ' 539' ' ' VAL . 0.2 OUTLIER -83.36 147.26 28.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.53 179.561 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' W' W ' 546' ' ' PHE . . . . . 0.817 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 4.2 p90 -119.61 -178.06 3.53 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.435 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 547' ' ' PHE . . . . . 0.72 ' CE2' HD23 ' W' ' 531' ' ' LEU . 1.4 m-85 -115.98 133.53 55.93 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.166 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 548' ' ' ILE . . . . . 0.759 HD11 ' HB2' ' W' ' 538' ' ' GLN . 4.1 mp -94.44 136.82 24.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.707 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 549' ' ' ASP . . . . . 0.421 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 28.5 t0 -115.71 112.88 22.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.969 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 550' ' ' HIS . . . . . 0.401 ' CD2' ' N ' ' W' ' 550' ' ' HIS . 6.5 m-70 -86.5 -27.63 23.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.746 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -55.88 -25.5 42.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.186 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 552' ' ' SER . . . . . 0.409 ' O ' ' HG3' ' W' ' 554' ' ' ARG . 0.3 OUTLIER -143.34 15.42 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.508 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? 49.21 72.25 0.31 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.837 0.351 . . . . 0.0 111.081 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 554' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' W' ' 552' ' ' SER . 2.9 mtt-85 -154.84 -167.51 2.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 555' ' ' THR . . . . . 0.429 HG21 ' O ' ' P' ' 230' ' ' PRO . 74.7 p -150.38 169.86 20.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.858 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 556' ' ' THR . . . . . 0.598 ' CA ' HD11 ' P' ' 229' ' ' LEU . 1.8 t -162.23 162.81 28.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.973 0.416 . . . . 0.0 111.198 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 557' ' ' TRP . . . . . 0.514 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 14.6 m95 -87.23 -19.62 28.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.811 -179.519 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.0 mm -109.57 139.33 33.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.979 0.418 . . . . 0.0 111.519 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 559' ' ' ASP . . . . . 0.436 ' HA ' ' HD3' ' W' ' 560' ' ' PRO . 0.8 OUTLIER -74.42 141.51 76.9 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.118 -179.588 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' W' W ' 560' ' ' PRO . . . . . 0.545 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 34.5 Cg_endo -86.19 -20.7 2.71 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 122.662 2.241 . . . . 0.0 112.233 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 561' ' ' ARG . . . . . 0.413 ' CZ ' ' O ' ' W' ' 529' ' ' GLU . 0.7 OUTLIER -49.41 -27.25 3.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.061 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -158.96 -43.01 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 125.11 52.24 0.18 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.733 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 10.0 mtt-85 -131.79 139.85 49.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.784 0.326 . . . . 0.0 110.777 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.54 130.46 43.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.102 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 99.989999999999995 110.902 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.851 0.357 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . -119.88 -113.62 2.43 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 229' ' ' LEU . . . . . 0.598 HD11 ' CA ' ' W' ' 556' ' ' THR . 16.7 tp 70.35 75.29 0.25 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 120.731 0.3 . . . . 0.0 111.289 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 230' ' ' PRO . . . . . 0.429 ' O ' HG21 ' W' ' 555' ' ' THR . 26.2 Cg_exo -62.29 113.13 1.78 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.671 2.247 . . . . 0.0 111.93 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.38 161.96 2.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.981 0.42 . . . . 0.0 111.127 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 232' ' ' TYR . . . . . 0.614 ' CE1' HD11 ' P' ' 236' ' ' LEU . 6.8 t80 -54.97 92.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 173.59 -67.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.95 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.97 -32.71 74.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -97.93 79.69 2.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.116 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 236' ' ' LEU . . . . . 0.614 HD11 ' CE1' ' P' ' 232' ' ' TYR . 0.3 OUTLIER -150.59 25.71 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.976 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 99.989999999999995 110.848 179.929 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' W' W ' 521' ' ' GLY . . . . . 0.618 ' N ' ' HD2' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.47 0 N-CA-C 110.107 -1.197 . . . . 99.989999999999995 110.107 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 522' ' ' PRO . . . . . 0.618 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 55.5 Cg_endo -70.18 -41.05 4.04 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.629 2.219 . . . . 0.0 112.251 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 523' ' ' LEU . . . . . 0.518 HD12 ' HG2' ' W' ' 522' ' ' PRO . 0.8 OUTLIER -139.78 151.54 45.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . 170.93 -58.9 0.18 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.549 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 20.2 m -77.15 137.05 38.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.787 0.327 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . 157.68 130.68 1.23 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 71.27 69.91 0.17 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.843 0.354 . . . . 0.0 110.974 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 69.54 124.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.017 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 529' ' ' GLU . . . . . 0.409 ' CB ' ' HD3' ' W' ' 561' ' ' ARG . 5.8 tp10 -69.59 129.91 90.99 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.662 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -82.25 49.75 3.22 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.602 2.201 . . . . 0.0 112.943 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 531' ' ' LEU . . . . . 0.619 HD13 ' HA ' ' W' ' 536' ' ' SER . 0.5 OUTLIER 58.82 112.49 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.767 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' W' W ' 532' ' ' PRO . . . . . 0.531 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 88.5 Cg_exo -47.37 179.22 0.01 OUTLIER 'Trans proline' 0 CA--C 1.532 0.424 0 C-N-CA 122.77 2.313 . . . . 0.0 112.62 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 533' ' ' PRO . . . . . 0.531 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 35.2 Cg_exo -35.85 -62.17 0.25 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.388 2.725 . . . . 0.0 114.602 -178.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 534' ' ' ARG . . . . . 0.48 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 19.8 mmt85 -115.69 71.92 0.79 Allowed 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.547 -179.212 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 535' ' ' TRP . . . . . 0.572 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 87.0 m95 -157.48 151.49 24.49 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.845 -179.305 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 536' ' ' SER . . . . . 0.619 ' HA ' HD13 ' W' ' 531' ' ' LEU . 3.4 m -147.81 -173.76 4.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.286 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 537' ' ' MET . . . . . 0.448 ' SD ' ' CE1' ' W' ' 547' ' ' PHE . 0.2 OUTLIER -143.53 127.73 17.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.95 0.405 . . . . 0.0 110.965 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' W' W ' 538' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -140.41 143.85 35.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.927 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 539' ' ' VAL . . . . . 0.463 ' HA ' HG22 ' W' ' 545' ' ' THR . 5.6 p -88.46 129.12 40.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.953 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 540' ' ' ALA . . . . . 0.874 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -102.56 172.59 4.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.22 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 541' ' ' PRO . . . . . 0.826 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 73.0 Cg_endo -76.63 -22.18 12.28 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.64 2.227 . . . . 0.0 112.054 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -50.03 -40.83 46.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.791 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 136.38 -14.16 3.99 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.979 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 544' ' ' ARG . . . . . 0.523 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 11.1 ptp180 -130.9 156.87 44.33 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.898 0.38 . . . . 0.0 111.264 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 545' ' ' THR . . . . . 0.463 HG22 ' HA ' ' W' ' 539' ' ' VAL . 0.8 OUTLIER -80.89 146.94 30.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.05 179.845 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' W' W ' 546' ' ' PHE . . . . . 0.874 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 7.9 p90 -125.93 158.7 34.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.198 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 547' ' ' PHE . . . . . 0.516 ' CE1' ' HB3' ' W' ' 559' ' ' ASP . 2.3 m-85 -93.48 157.2 16.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.253 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 548' ' ' ILE . . . . . 0.657 HG12 HG22 ' W' ' 555' ' ' THR . 10.8 mt -125.1 107.22 17.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.755 0.312 . . . . 0.0 111.455 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 549' ' ' ASP . . . . . 0.505 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 31.3 t0 -76.19 109.47 9.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.807 179.542 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 550' ' ' HIS . . . . . 0.411 ' CB ' ' HD3' ' W' ' 534' ' ' ARG . 22.4 m-70 -72.53 -15.8 61.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.382 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.64 -48.3 72.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.799 0.333 . . . . 0.0 111.034 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.05 17.68 10.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.203 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 553' ' ' ARG . . . . . 0.486 ' HA ' ' CD2' ' P' ' 232' ' ' TYR . 0.1 OUTLIER 48.86 51.08 16.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.827 0.346 . . . . 0.0 111.031 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -120.81 173.02 7.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.535 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 555' ' ' THR . . . . . 0.815 ' O ' HD21 ' P' ' 229' ' ' LEU . 27.0 p -135.52 152.02 50.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.038 0.447 . . . . 0.0 112.011 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 556' ' ' THR . . . . . 0.648 ' N ' HD11 ' P' ' 229' ' ' LEU . 2.5 t -147.87 158.14 43.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.813 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 557' ' ' TRP . . . . . 0.523 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 17.3 m95 -80.23 -11.56 59.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.96 -179.341 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 558' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' W' ' 565' ' ' ALA . 5.3 mm -112.89 154.17 14.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.063 0.459 . . . . 0.0 111.875 -179.049 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 559' ' ' ASP . . . . . 0.516 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 2.3 p30 -95.66 144.0 27.08 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.227 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 560' ' ' PRO . . . . . 0.572 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 28.3 Cg_endo -86.09 -25.16 1.49 Allowed 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.574 2.183 . . . . 0.0 112.21 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 561' ' ' ARG . . . . . 0.409 ' HD3' ' CB ' ' W' ' 529' ' ' GLU . 0.3 OUTLIER -53.33 -23.56 9.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.94 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -149.77 -50.59 0.14 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.491 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 121.09 36.84 0.73 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.388 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -124.26 154.4 40.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.851 0.357 . . . . 0.0 110.844 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 565' ' ' ALA . . . . . 0.441 ' HA ' HD13 ' W' ' 558' ' ' ILE . . . -55.37 135.79 49.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.199 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 99.989999999999995 110.95 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.77 0.319 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . -92.12 -95.11 1.37 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.501 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 229' ' ' LEU . . . . . 0.815 HD21 ' O ' ' W' ' 555' ' ' THR . 4.3 tp 58.31 78.38 0.36 Allowed Pre-proline 0 C--N 1.327 -0.39 0 CA-C-O 120.695 0.283 . . . . 0.0 111.066 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 230' ' ' PRO . . . . . 0.472 ' HB2' ' HB2' ' P' ' 235' ' ' ALA . 81.1 Cg_exo -46.76 115.61 1.31 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.235 1.957 . . . . 0.0 111.752 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 93.7 p -70.27 61.42 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.379 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 232' ' ' TYR . . . . . 0.486 ' CD2' ' HA ' ' W' ' 553' ' ' ARG . 3.0 t80 66.74 -66.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.281 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -48.53 -54.72 13.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -73.01 -25.15 60.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 235' ' ' ALA . . . . . 0.472 ' HB2' ' HB2' ' P' ' 230' ' ' PRO . . . -57.83 -56.71 18.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.03 -57.57 8.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 99.989999999999995 110.907 -179.922 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' W' W ' 521' ' ' GLY . . . . . 0.655 ' N ' ' HD2' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.454 0 N-CA-C 110.104 -1.199 . . . . 99.989999999999995 110.104 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 522' ' ' PRO . . . . . 0.655 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 37.5 Cg_endo -65.94 -49.92 1.91 Allowed 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.667 2.244 . . . . 0.0 112.167 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 4.3 tt -177.64 125.81 0.13 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . 146.05 149.86 5.08 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.77 91.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -145.38 146.56 16.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.84 -43.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.8 0.333 . . . . 0.0 110.951 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -73.28 121.85 21.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 529' ' ' GLU . . . . . 0.456 ' CG ' ' HB2' ' W' ' 561' ' ' ARG . 51.4 tp10 -58.48 131.88 85.18 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.984 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -90.75 138.46 2.51 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.853 2.368 . . . . 0.0 112.845 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 531' ' ' LEU . . . . . 0.725 HD13 ' O ' ' W' ' 535' ' ' TRP . 0.1 OUTLIER -39.19 139.76 0.77 Allowed Pre-proline 0 N--CA 1.467 0.408 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.781 179.61 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' W' W ' 532' ' ' PRO . . . . . 0.479 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 74.1 Cg_exo -50.26 -173.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.756 2.304 . . . . 0.0 113.11 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 533' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 22.4 Cg_exo -68.92 -12.0 33.28 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.394 2.729 . . . . 0.0 115.12 -178.157 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 534' ' ' ARG . . . . . 0.434 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 18.6 mmt85 -142.59 44.17 1.62 Allowed 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.412 -0.515 . . . . 0.0 111.892 -178.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 535' ' ' TRP . . . . . 0.725 ' O ' HD13 ' W' ' 531' ' ' LEU . 33.9 m95 -140.61 170.0 16.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.154 0.502 . . . . 0.0 112.312 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 536' ' ' SER . . . . . 0.427 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.1 OUTLIER -138.44 -159.96 1.01 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.54 179.849 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' W' W ' 537' ' ' MET . . . . . . . . . . . . . 64.2 mtp -149.77 120.31 7.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.555 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 538' ' ' GLN . . . . . 0.457 ' HB3' HD11 ' W' ' 548' ' ' ILE . 0.8 OUTLIER -148.89 138.47 21.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.958 0.409 . . . . 0.0 111.282 -179.614 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' W' W ' 539' ' ' VAL . . . . . 0.887 HG22 ' CG2' ' W' ' 545' ' ' THR . 26.0 t -82.71 130.56 35.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.66 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 540' ' ' ALA . . . . . 0.744 ' HB2' ' CD1' ' W' ' 546' ' ' PHE . . . -95.43 155.16 39.03 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.35 -179.502 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.55 -21.01 70.54 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.577 2.185 . . . . 0.0 112.039 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -54.24 -43.09 70.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.686 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 137.18 -11.51 3.85 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.052 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 544' ' ' ARG . . . . . 0.508 ' HG2' ' CE3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -128.26 144.77 51.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.911 0.386 . . . . 0.0 111.324 -179.845 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' W' W ' 545' ' ' THR . . . . . 0.887 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.2 OUTLIER -69.92 146.28 51.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.294 179.329 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' W' W ' 546' ' ' PHE . . . . . 0.744 ' CD1' ' HB2' ' W' ' 540' ' ' ALA . 25.2 p90 -124.14 173.48 8.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 547' ' ' PHE . . . . . 0.505 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.5 OUTLIER -117.35 122.58 44.26 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.008 179.815 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' W' W ' 548' ' ' ILE . . . . . 0.457 HD11 ' HB3' ' W' ' 538' ' ' GLN . 2.8 mp -83.09 142.39 13.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.873 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 549' ' ' ASP . . . . . 0.484 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 23.1 t70 -116.6 117.94 31.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.726 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 550' ' ' HIS . . . . . 0.424 ' CD2' ' N ' ' W' ' 550' ' ' HIS . 6.3 m170 -81.56 -30.47 33.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.062 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -49.02 -40.03 29.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.25 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.22 2.08 4.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.84 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 553' ' ' ARG . . . . . 0.431 ' HD2' ' CE2' ' P' ' 232' ' ' TYR . 11.3 mmt180 64.37 56.3 1.31 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.816 0.341 . . . . 0.0 111.07 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 62.1 mtm180 -134.43 -163.43 1.37 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.664 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 555' ' ' THR . . . . . 0.528 ' OG1' HD21 ' P' ' 229' ' ' LEU . 19.3 p -156.03 177.48 11.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.064 0.459 . . . . 0.0 111.479 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 556' ' ' THR . . . . . 0.461 ' N ' HD21 ' P' ' 229' ' ' LEU . 0.8 OUTLIER -167.46 160.17 12.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.998 179.731 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' W' W ' 557' ' ' TRP . . . . . 0.508 ' CE3' ' HG2' ' W' ' 544' ' ' ARG . 20.7 m95 -83.45 9.87 10.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.849 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 558' ' ' ILE . . . . . 0.879 HD13 ' HA ' ' W' ' 565' ' ' ALA . 5.3 mm -132.14 148.11 32.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.885 0.374 . . . . 0.0 111.27 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 559' ' ' ASP . . . . . 0.426 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 0.8 OUTLIER -89.67 112.32 51.17 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.433 -179.42 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' W' W ' 560' ' ' PRO . . . . . 0.55 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 9.7 Cg_endo -54.16 -31.01 63.6 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.268 1.979 . . . . 0.0 111.651 179.572 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 561' ' ' ARG . . . . . 0.456 ' HB2' ' CG ' ' W' ' 529' ' ' GLU . 0.5 OUTLIER -64.91 -19.59 66.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.092 179.835 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -134.41 -69.16 0.53 Allowed 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.738 0.304 . . . . 0.0 110.977 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 563' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' W' ' 559' ' ' ASP . . . 117.47 42.89 0.61 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.588 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 564' ' ' ARG . . . . . 0.416 ' N ' HG23 ' W' ' 558' ' ' ILE . 0.5 OUTLIER -133.65 141.68 47.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.813 0.339 . . . . 0.0 110.937 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' W' W ' 565' ' ' ALA . . . . . 0.879 ' HA ' HD13 ' W' ' 558' ' ' ILE . . . -52.22 99.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.98 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 566' ' ' SER . . . . . 0.416 ' HB2' ' OD1' ' W' ' 559' ' ' ASP . 1.2 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 99.989999999999995 110.919 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 37.3 p . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.756 0.312 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . -156.82 77.57 0.2 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.584 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 229' ' ' LEU . . . . . 0.613 HD12 ' HD2' ' P' ' 230' ' ' PRO . 31.5 tp -90.65 110.44 41.37 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.48 0.181 . . . . 0.0 110.9 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 230' ' ' PRO . . . . . 0.613 ' HD2' HD12 ' P' ' 229' ' ' LEU . 67.3 Cg_exo -39.94 -34.34 0.89 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.679 2.253 . . . . 0.0 112.489 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 231' ' ' SER . . . . . 0.405 ' HA ' ' OG1' ' W' ' 555' ' ' THR . 4.2 t 68.28 43.1 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.217 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 232' ' ' TYR . . . . . 0.45 ' HB2' HG23 ' W' ' 555' ' ' THR . 1.1 t80 51.59 69.03 0.71 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.791 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -177.08 -38.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.803 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -97.42 -22.91 16.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.937 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 235' ' ' ALA . . . . . 0.547 ' HB2' ' HG2' ' P' ' 230' ' ' PRO . . . -114.48 78.36 1.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.858 0.361 . . . . 0.0 110.989 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -176.07 76.5 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 99.989999999999995 110.858 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' W' W ' 521' ' ' GLY . . . . . 0.472 ' N ' ' CD ' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 110.121 -1.192 . . . . 99.989999999999995 110.121 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 522' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' W' ' 521' ' ' GLY . 50.4 Cg_exo -52.64 -177.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.531 2.154 . . . . 0.0 112.161 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 4.3 tp -94.78 94.62 8.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.912 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -134.06 -131.22 3.09 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.594 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 7.4 t 56.22 46.87 20.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.81 0.338 . . . . 0.0 110.762 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -107.41 -149.24 15.22 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.359 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.82 88.72 2.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.791 0.329 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -122.99 129.32 51.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 529' ' ' GLU . . . . . 0.486 ' CB ' ' HD2' ' W' ' 530' ' ' PRO . 0.9 OUTLIER -109.18 -179.38 0.67 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.509 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' W' W ' 530' ' ' PRO . . . . . 0.486 ' HD2' ' CB ' ' W' ' 529' ' ' GLU . 88.6 Cg_endo -83.76 175.89 7.44 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.594 2.196 . . . . 0.0 112.54 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 531' ' ' LEU . . . . . 0.617 HD13 ' HA ' ' W' ' 536' ' ' SER . 0.9 OUTLIER -94.18 119.46 66.61 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.508 179.857 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' W' W ' 532' ' ' PRO . . . . . 0.516 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 53.3 Cg_exo -44.71 174.63 0.01 OUTLIER 'Trans proline' 0 CA--C 1.533 0.469 0 C-N-CA 122.854 2.369 . . . . 0.0 113.094 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 533' ' ' PRO . . . . . 0.516 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 59.3 Cg_exo -36.2 -59.34 0.42 Allowed 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.534 2.822 . . . . 0.0 115.068 -178.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 534' ' ' ARG . . . . . 0.475 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 7.5 mmm180 -116.67 69.87 0.76 Allowed 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.31 -178.349 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 535' ' ' TRP . . . . . 0.53 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 93.6 m95 -157.78 128.26 6.34 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.531 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 536' ' ' SER . . . . . 0.617 ' HA ' HD13 ' W' ' 531' ' ' LEU . 2.6 m -119.3 -173.54 2.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.81 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 537' ' ' MET . . . . . 0.456 ' HG2' ' CE1' ' W' ' 547' ' ' PHE . 45.9 mtm -133.65 144.54 49.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.689 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 538' ' ' GLN . . . . . 0.473 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 2.0 tp-100 -163.26 129.09 3.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.054 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 539' ' ' VAL . . . . . 0.546 ' HA ' HG22 ' W' ' 545' ' ' THR . 8.1 p -79.89 130.13 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.016 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 540' ' ' ALA . . . . . 0.835 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -102.22 160.91 24.96 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.355 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -64.55 -25.57 62.44 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.668 2.245 . . . . 0.0 111.24 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -49.41 -26.25 3.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.678 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 115.99 -8.85 18.65 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.882 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 544' ' ' ARG . . . . . 0.511 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.43 156.31 45.82 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.996 0.427 . . . . 0.0 111.192 -179.875 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' W' W ' 545' ' ' THR . . . . . 0.546 HG22 ' HA ' ' W' ' 539' ' ' VAL . 0.7 OUTLIER -85.34 146.65 26.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.785 179.668 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' W' W ' 546' ' ' PHE . . . . . 0.835 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 4.0 p90 -119.44 -175.96 3.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.04 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 547' ' ' PHE . . . . . 0.512 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.6 OUTLIER -125.63 129.32 49.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.428 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' W' W ' 548' ' ' ILE . . . . . 0.61 HG13 HG22 ' W' ' 555' ' ' THR . 3.0 mp -91.33 117.19 34.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.465 -179.236 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 549' ' ' ASP . . . . . 0.414 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 36.6 t0 -89.73 95.92 10.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.736 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -62.02 -32.68 73.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.146 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -57.48 -49.47 76.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.414 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.23 -6.19 28.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.772 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 64.91 48.87 2.25 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.867 0.365 . . . . 0.0 110.817 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 554' ' ' ARG . . . . . 0.405 ' CA ' ' HB2' ' P' ' 232' ' ' TYR . 10.6 mtp85 -143.05 -162.5 1.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 555' ' ' THR . . . . . 0.864 ' O ' HD21 ' P' ' 229' ' ' LEU . 45.1 p -145.72 157.12 43.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.085 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 556' ' ' THR . . . . . 0.506 HG23 ' H ' ' W' ' 558' ' ' ILE . 15.1 t -146.87 164.07 34.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 557' ' ' TRP . . . . . 0.511 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 36.5 m95 -92.78 17.69 10.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.288 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 558' ' ' ILE . . . . . 0.506 ' H ' HG23 ' W' ' 556' ' ' THR . 5.2 mm -133.43 147.42 31.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.849 0.357 . . . . 0.0 111.369 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 559' ' ' ASP . . . . . 0.502 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 9.2 p30 -104.33 118.06 57.71 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.915 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 560' ' ' PRO . . . . . 0.53 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 10.6 Cg_endo -56.98 -25.53 63.3 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.5 2.133 . . . . 0.0 112.812 -179.613 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 561' ' ' ARG . . . . . 0.444 ' CG ' ' HB2' ' W' ' 559' ' ' ASP . 0.1 OUTLIER -50.31 -37.72 37.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.153 -179.657 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -149.57 20.85 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.368 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 44.44 58.92 4.38 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.883 -0.675 . . . . 0.0 113.006 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -143.44 170.54 15.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.812 0.339 . . . . 0.0 110.813 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -72.05 117.58 13.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 99.989999999999995 110.897 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 5.7 p . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 120.806 0.336 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . -103.72 4.43 46.47 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 120.666 -0.778 . . . . 0.0 113.133 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 229' ' ' LEU . . . . . 0.864 HD21 ' O ' ' W' ' 555' ' ' THR . 4.2 tp -48.9 102.9 0.33 Allowed Pre-proline 0 CA--C 1.529 0.14 0 CA-C-N 116.855 0.328 . . . . 0.0 111.217 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -66.36 101.9 0.55 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.59 2.193 . . . . 0.0 111.898 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 231' ' ' SER . . . . . 0.414 ' O ' ' N ' ' P' ' 233' ' ' ASP . 68.8 p -48.78 163.03 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.178 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 232' ' ' TYR . . . . . 0.482 ' CE2' ' CG2' ' W' ' 548' ' ' ILE . 1.3 t80 -58.25 84.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 233' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' P' ' 231' ' ' SER . 0.3 OUTLIER 172.35 -39.53 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -96.77 -25.65 15.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.817 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -61.3 -31.24 71.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 5.1 mp -55.74 131.73 47.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.833 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 99.989999999999995 110.994 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 521' ' ' GLY . . . . . 0.644 ' N ' ' HD2' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.467 0 N-CA-C 110.102 -1.199 . . . . 99.989999999999995 110.102 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 522' ' ' PRO . . . . . 0.644 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 41.8 Cg_endo -67.78 -50.2 0.92 Allowed 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.645 2.23 . . . . 0.0 112.344 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.73 -28.55 9.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . 79.79 -101.4 1.92 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.408 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 4.1 p -172.9 62.39 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.846 0.355 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -135.6 171.43 22.64 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.531 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -145.87 77.9 1.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.809 0.338 . . . . 0.0 110.973 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -114.93 61.25 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 529' ' ' GLU . . . . . 0.415 ' O ' ' CZ ' ' W' ' 561' ' ' ARG . 0.4 OUTLIER 61.8 126.68 0.02 OUTLIER Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.749 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -89.95 149.35 4.82 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.673 2.249 . . . . 0.0 112.8 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 531' ' ' LEU . . . . . 0.853 HD21 ' HG2' ' W' ' 537' ' ' MET . 1.5 mt -64.36 125.82 89.19 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.16 179.342 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 532' ' ' PRO . . . . . 0.547 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 80.3 Cg_exo -47.49 -179.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.799 2.333 . . . . 0.0 112.907 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 533' ' ' PRO . . . . . 0.547 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 20.5 Cg_exo -36.93 -57.52 0.64 Allowed 'Trans proline' 0 CA--C 1.515 -0.473 0 C-N-CA 123.518 2.812 . . . . 0.0 114.991 -178.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 534' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -123.26 71.07 1.05 Allowed 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.966 -178.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 535' ' ' TRP . . . . . 0.577 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 71.0 m95 -150.9 162.44 40.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.368 0.604 . . . . 0.0 112.513 -179.555 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 536' ' ' SER . . . . . 0.705 ' CA ' HD22 ' W' ' 531' ' ' LEU . 16.6 m -162.61 -171.69 2.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.696 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 537' ' ' MET . . . . . 0.853 ' HG2' HD21 ' W' ' 531' ' ' LEU . 0.0 OUTLIER -155.05 138.72 16.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.094 0.473 . . . . 0.0 111.559 179.66 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' W' W ' 538' ' ' GLN . . . . . 0.786 ' HB2' HD11 ' W' ' 548' ' ' ILE . 0.9 OUTLIER -146.37 149.6 34.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.537 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' W' W ' 539' ' ' VAL . . . . . 0.848 HG22 ' CG2' ' W' ' 545' ' ' THR . 19.7 t -79.41 137.56 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.098 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 540' ' ' ALA . . . . . 0.944 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -110.03 170.93 4.82 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.311 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 541' ' ' PRO . . . . . 0.834 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 60.8 Cg_endo -73.3 -23.23 17.95 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.651 2.234 . . . . 0.0 112.06 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -51.82 -41.26 61.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.775 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 134.44 -11.24 4.66 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.964 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 544' ' ' ARG . . . . . 0.522 ' HG3' ' CE3' ' W' ' 557' ' ' TRP . 0.3 OUTLIER -130.75 156.65 44.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.879 0.371 . . . . 0.0 111.14 -179.848 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' W' W ' 545' ' ' THR . . . . . 0.848 ' CG2' HG22 ' W' ' 539' ' ' VAL . 2.0 p -79.59 146.83 32.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 546' ' ' PHE . . . . . 0.944 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 9.1 p90 -126.29 153.54 44.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 547' ' ' PHE . . . . . 0.805 ' CE2' HD23 ' W' ' 531' ' ' LEU . 1.9 m-85 -94.01 132.29 38.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.962 0.41 . . . . 0.0 110.952 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 548' ' ' ILE . . . . . 0.786 HD11 ' HB2' ' W' ' 538' ' ' GLN . 3.4 mp -89.45 130.09 39.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 549' ' ' ASP . . . . . 0.479 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 38.1 t0 -107.47 109.7 21.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.777 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -84.94 -25.18 28.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.988 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -56.4 -42.07 77.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.009 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.46 -5.51 10.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.63 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 70.89 58.07 0.21 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.797 0.332 . . . . 0.0 110.892 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -144.26 -163.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.769 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 555' ' ' THR . . . . . 0.409 HG22 ' HA ' ' W' ' 548' ' ' ILE . 68.8 p -152.53 169.2 23.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.159 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 2.6 t -160.66 162.24 32.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.107 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 557' ' ' TRP . . . . . 0.522 ' CE3' ' HG3' ' W' ' 544' ' ' ARG . 14.7 m95 -83.59 -19.66 35.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.578 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 558' ' ' ILE . . . . . 0.704 HD13 ' HA ' ' W' ' 565' ' ' ALA . 4.9 mm -110.74 145.83 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.93 0.395 . . . . 0.0 111.434 -179.394 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 559' ' ' ASP . . . . . 0.509 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 9.7 p30 -82.81 145.51 50.4 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.298 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 560' ' ' PRO . . . . . 0.577 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 59.0 Cg_endo -91.55 10.94 2.55 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 122.991 2.461 . . . . 0.0 112.532 179.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 561' ' ' ARG . . . . . 0.415 ' CZ ' ' O ' ' W' ' 529' ' ' GLU . 0.0 OUTLIER -107.01 18.37 21.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.114 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 7.5 p30 177.61 -46.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.065 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 105.91 41.42 1.83 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.682 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.61 143.7 50.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.866 0.365 . . . . 0.0 110.795 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 565' ' ' ALA . . . . . 0.704 ' HA ' HD13 ' W' ' 558' ' ' ILE . . . -51.46 118.11 3.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.277 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 99.989999999999995 110.976 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.889 0.376 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . -157.82 36.8 0.54 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 229' ' ' LEU . . . . . 0.407 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 0.4 OUTLIER -112.27 93.88 24.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.706 0.289 . . . . 0.0 110.884 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -58.95 102.66 0.15 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.564 2.176 . . . . 0.0 112.047 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 10.1 p -55.82 174.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.128 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 232' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -60.72 81.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.053 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 5.2 t70 177.35 -59.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.82 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -81.67 -22.03 37.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.092 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -69.54 -47.07 64.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.159 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 45.4 mt -75.78 98.52 4.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.997 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 99.989999999999995 110.823 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 521' ' ' GLY . . . . . 0.661 ' N ' ' HD2' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.444 0 N-CA-C 110.096 -1.202 . . . . 99.989999999999995 110.096 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 522' ' ' PRO . . . . . 0.661 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 26.3 Cg_endo -63.71 -59.35 0.21 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.583 2.189 . . . . 0.0 112.306 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 523' ' ' LEU . . . . . 0.471 HD12 ' OG ' ' W' ' 525' ' ' SER . 0.1 OUTLIER -70.61 -69.97 0.33 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.973 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . 90.04 -107.19 3.41 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.515 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 525' ' ' SER . . . . . 0.471 ' OG ' HD12 ' W' ' 523' ' ' LEU . 0.0 OUTLIER 49.89 34.14 7.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 0.0 110.995 179.896 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -61.12 174.31 5.91 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.539 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -168.67 -55.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.858 0.361 . . . . 0.0 110.891 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -81.9 152.75 26.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 529' ' ' GLU . . . . . 0.433 ' HB3' ' CZ ' ' W' ' 561' ' ' ARG . 27.0 tp10 -141.43 138.19 17.28 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.792 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 530' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' W' ' 529' ' ' GLU . 52.0 Cg_exo -55.49 146.83 61.25 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.599 2.199 . . . . 0.0 112.728 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 531' ' ' LEU . . . . . 0.962 HD21 ' HG3' ' W' ' 537' ' ' MET . 0.3 OUTLIER -96.86 141.94 23.81 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.27 179.657 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' W' W ' 532' ' ' PRO . . . . . 0.461 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 71.1 Cg_exo -49.71 -174.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.442 2.095 . . . . 0.0 113.17 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 533' ' ' PRO . . . . . 0.461 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 22.0 Cg_exo -68.1 -4.74 13.16 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 123.254 2.636 . . . . 0.0 115.232 -177.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 534' ' ' ARG . . . . . 0.427 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 27.2 mmt85 -149.93 42.37 0.86 Allowed 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 120.142 -0.623 . . . . 0.0 111.713 -179.046 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 535' ' ' TRP . . . . . 0.515 ' CE2' ' HG3' ' W' ' 560' ' ' PRO . 37.9 m95 -140.36 168.14 20.51 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.422 0.63 . . . . 0.0 112.549 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 536' ' ' SER . . . . . 0.811 ' CA ' HD22 ' W' ' 531' ' ' LEU . 0.4 OUTLIER -155.14 -163.39 1.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.444 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' W' W ' 537' ' ' MET . . . . . 0.962 ' HG3' HD21 ' W' ' 531' ' ' LEU . 12.9 mtm -133.32 149.51 51.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 538' ' ' GLN . . . . . 0.572 ' HB2' HD11 ' W' ' 548' ' ' ILE . 1.6 tp60 -169.06 129.84 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.799 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 539' ' ' VAL . . . . . 0.667 HG22 ' CG2' ' W' ' 545' ' ' THR . 22.3 t -81.14 133.74 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.984 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 540' ' ' ALA . . . . . 0.778 ' HB2' ' CD1' ' W' ' 546' ' ' PHE . . . -104.07 151.49 38.98 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.194 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -59.46 -26.03 80.59 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.597 2.198 . . . . 0.0 111.688 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -49.63 -39.15 34.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.705 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 129.06 -6.1 6.41 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.739 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 544' ' ' ARG . . . . . 0.517 ' CD ' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.94 145.43 51.49 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.872 0.367 . . . . 0.0 111.118 -179.875 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' W' W ' 545' ' ' THR . . . . . 0.667 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.2 OUTLIER -72.29 146.16 47.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.425 179.306 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' W' W ' 546' ' ' PHE . . . . . 0.778 ' CD1' ' HB2' ' W' ' 540' ' ' ALA . 14.0 p90 -122.01 159.21 27.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.092 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 547' ' ' PHE . . . . . 0.589 ' CE2' HD23 ' W' ' 531' ' ' LEU . 0.5 OUTLIER -103.3 125.73 50.09 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.264 -179.674 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' W' W ' 548' ' ' ILE . . . . . 0.572 HD11 ' HB2' ' W' ' 538' ' ' GLN . 3.1 mt -83.74 149.48 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.753 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -127.31 106.27 9.1 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.165 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -75.99 -26.1 56.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.791 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -52.16 -32.65 36.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.657 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 552' ' ' SER . . . . . 0.403 ' O ' ' HG3' ' W' ' 554' ' ' ARG . 0.2 OUTLIER -137.6 13.36 2.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.166 179.735 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' W' W ' 553' ' ' ARG . . . . . 0.475 ' HA ' ' CD2' ' P' ' 232' ' ' TYR . 9.0 mmt85 52.4 63.32 2.29 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.669 0.271 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 554' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' W' ' 552' ' ' SER . 29.2 mtp85 -147.15 -167.23 2.72 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.821 0.343 . . . . 0.0 111.456 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 555' ' ' THR . . . . . 0.507 HG23 ' N ' ' P' ' 232' ' ' TYR . 81.7 p -143.88 -175.8 4.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 556' ' ' THR . . . . . 0.464 ' HA ' HD21 ' P' ' 229' ' ' LEU . 0.9 OUTLIER -178.51 161.6 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.259 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' W' W ' 557' ' ' TRP . . . . . 0.579 ' CD2' HD13 ' P' ' 229' ' ' LEU . 19.1 m95 -85.56 11.47 10.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.756 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 558' ' ' ILE . . . . . 0.444 HG23 ' N ' ' W' ' 564' ' ' ARG . 5.4 mm -130.19 149.43 33.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.976 0.417 . . . . 0.0 111.697 -179.179 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 559' ' ' ASP . . . . . 0.49 ' HB3' ' CD1' ' W' ' 547' ' ' PHE . 2.0 p30 -105.56 118.88 54.43 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.987 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 560' ' ' PRO . . . . . 0.515 ' HG3' ' CE2' ' W' ' 535' ' ' TRP . 9.0 Cg_endo -52.93 -35.25 70.25 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.23 1.953 . . . . 0.0 112.016 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 561' ' ' ARG . . . . . 0.433 ' CZ ' ' HB3' ' W' ' 529' ' ' GLU . 0.0 OUTLIER -49.78 -31.47 11.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.975 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -131.86 -66.03 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 122.31 38.53 0.59 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.363 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 564' ' ' ARG . . . . . 0.444 ' N ' HG23 ' W' ' 558' ' ' ILE . 12.5 mtt180 -140.72 175.04 9.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.816 0.341 . . . . 0.0 111.153 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -51.88 108.07 0.25 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.34 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 115.99 -0.55 . . . . 99.989999999999995 110.868 179.84 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.729 0.299 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . -138.76 53.96 0.69 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.729 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 229' ' ' LEU . . . . . 0.579 HD13 ' CD2' ' W' ' 557' ' ' TRP . 13.8 tp -113.02 82.02 5.04 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.69 0.281 . . . . 0.0 111.003 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 230' ' ' PRO . . . . . 0.815 ' HB3' ' HB2' ' P' ' 235' ' ' ALA . 90.2 Cg_exo -44.34 100.8 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.624 2.216 . . . . 0.0 112.306 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 231' ' ' SER . . . . . 0.402 ' HA ' ' OG1' ' W' ' 555' ' ' THR . 2.0 m -51.07 174.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.265 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 232' ' ' TYR . . . . . 0.635 ' CD1' HD13 ' P' ' 236' ' ' LEU . 1.1 t80 -86.77 77.63 9.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.899 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -179.59 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.391 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -98.48 -27.88 13.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.561 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 235' ' ' ALA . . . . . 0.815 ' HB2' ' HB3' ' P' ' 230' ' ' PRO . . . -106.25 67.74 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.962 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 236' ' ' LEU . . . . . 0.635 HD13 ' CD1' ' P' ' 232' ' ' TYR . 0.3 OUTLIER -157.07 56.71 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.885 -179.718 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 5.7 p80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 99.989999999999995 110.894 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' W' W ' 521' ' ' GLY . . . . . 0.611 ' N ' ' HD2' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.47 0 N-CA-C 110.094 -1.202 . . . . 99.989999999999995 110.094 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 522' ' ' PRO . . . . . 0.611 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 53.9 Cg_endo -69.95 -31.35 19.85 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.592 2.195 . . . . 0.0 112.343 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 34.8 tp -148.94 117.99 6.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -179.94 61.74 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 16.5 t -78.68 -25.12 44.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.729 0.299 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . 138.86 150.06 5.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 67.52 41.83 2.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -155.33 104.97 2.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.735 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 529' ' ' GLU . . . . . 0.442 ' HG2' ' CB ' ' W' ' 561' ' ' ARG . 4.5 tp10 -49.51 139.99 14.38 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.763 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -86.48 33.47 0.45 Allowed 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.867 2.378 . . . . 0.0 113.232 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 531' ' ' LEU . . . . . 0.753 HD13 ' HA ' ' W' ' 536' ' ' SER . 4.3 mt 62.45 127.95 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.305 0 N-CA-C 110.421 -0.214 . . . . 0.0 110.421 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 532' ' ' PRO . . . . . 0.466 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 71.1 Cg_exo -49.76 -174.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.525 2.15 . . . . 0.0 113.348 -179.217 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 533' ' ' PRO . . . . . 0.466 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 24.6 Cg_exo -66.41 -12.84 37.38 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.323 2.682 . . . . 0.0 115.208 -178.067 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 534' ' ' ARG . . . . . 0.436 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 19.7 mmt85 -142.84 44.13 1.59 Allowed 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 120.261 -0.576 . . . . 0.0 111.825 -178.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 535' ' ' TRP . . . . . 0.534 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 43.0 m95 -140.94 167.89 21.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.337 0.589 . . . . 0.0 112.531 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 536' ' ' SER . . . . . 0.753 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.1 OUTLIER -146.54 -157.31 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.43 -179.893 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' W' W ' 537' ' ' MET . . . . . 0.447 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 28.2 mtm -147.36 144.38 28.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.842 0.353 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 538' ' ' GLN . . . . . 0.404 ' O ' ' CD1' ' W' ' 546' ' ' PHE . 1.9 tp-100 -165.62 133.35 2.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.136 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 539' ' ' VAL . . . . . 0.592 HG22 ' CG2' ' W' ' 545' ' ' THR . 2.8 t -82.08 135.58 24.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.687 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 540' ' ' ALA . . . . . 0.877 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -108.89 158.59 33.75 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.286 -179.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 541' ' ' PRO . . . . . 0.462 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 36.7 Cg_endo -65.12 -21.76 62.43 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.479 2.12 . . . . 0.0 111.829 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -49.63 -43.4 46.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.833 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 137.91 -14.09 3.59 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.688 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 544' ' ' ARG . . . . . 0.509 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.58 157.11 44.49 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.993 0.425 . . . . 0.0 111.272 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' W' W ' 545' ' ' THR . . . . . 0.592 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.6 OUTLIER -79.09 146.15 33.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.224 179.418 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' W' W ' 546' ' ' PHE . . . . . 0.877 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 9.2 p90 -118.06 173.23 6.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.024 0.44 . . . . 0.0 111.33 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 547' ' ' PHE . . . . . 0.495 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.6 OUTLIER -116.42 127.49 54.65 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.196 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' W' W ' 548' ' ' ILE . . . . . 0.621 HG13 HG22 ' W' ' 555' ' ' THR . 2.7 mp -87.22 145.74 7.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.443 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -122.9 109.12 13.75 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.954 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -73.18 -32.46 64.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.973 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -49.78 -48.16 50.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.016 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.5 -1.95 14.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.606 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 553' ' ' ARG . . . . . 0.4 ' HA ' ' CD2' ' P' ' 232' ' ' TYR . 6.9 mmt180 62.89 62.53 1.04 Allowed 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.661 0.267 . . . . 0.0 110.911 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 554' ' ' ARG . . . . . 0.437 ' CA ' ' HB3' ' P' ' 232' ' ' TYR . 39.3 mtp180 -150.32 -167.52 2.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.017 0.436 . . . . 0.0 111.275 -179.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 555' ' ' THR . . . . . 0.782 ' OG1' HD11 ' P' ' 229' ' ' LEU . 37.5 p -140.77 176.56 8.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 556' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' W' ' 546' ' ' PHE . 0.2 OUTLIER -170.29 165.87 8.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.433 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' W' W ' 557' ' ' TRP . . . . . 0.509 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 20.0 m95 -92.09 19.55 6.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.308 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 558' ' ' ILE . . . . . 0.432 HG23 ' N ' ' W' ' 564' ' ' ARG . 5.3 mm -132.55 149.48 32.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.977 0.418 . . . . 0.0 111.646 -179.1 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 559' ' ' ASP . . . . . 0.482 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 12.3 p30 -104.53 113.4 65.08 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.811 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 560' ' ' PRO . . . . . 0.534 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 5.3 Cg_endo -50.91 -26.92 19.33 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.286 1.991 . . . . 0.0 112.278 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 561' ' ' ARG . . . . . 0.442 ' CB ' ' HG2' ' W' ' 529' ' ' GLU . 0.3 OUTLIER -61.97 -23.2 66.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.995 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' W' W ' 562' ' ' ASN . . . . . 0.407 ' ND2' ' OD2' ' W' ' 559' ' ' ASP . 5.5 m-20 -132.99 -60.14 0.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.716 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 117.26 24.62 3.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.597 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 564' ' ' ARG . . . . . 0.432 ' N ' HG23 ' W' ' 558' ' ' ILE . 23.7 mtt-85 -136.29 -175.93 4.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.882 0.372 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -48.87 115.58 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.211 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.113 -0.494 . . . . 99.989999999999995 110.888 179.924 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.773 0.321 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . 97.04 28.07 8.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.522 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 229' ' ' LEU . . . . . 0.782 HD11 ' OG1' ' W' ' 555' ' ' THR . 1.7 tm? -99.0 106.55 38.74 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.541 0.21 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 230' ' ' PRO . . . . . 0.89 ' HB2' ' HB2' ' P' ' 235' ' ' ALA . 11.7 Cg_exo -70.16 109.3 2.35 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.638 2.225 . . . . 0.0 111.912 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 88.1 p -52.96 163.38 0.5 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 232' ' ' TYR . . . . . 0.565 ' CG ' HG23 ' W' ' 548' ' ' ILE . 1.1 t80 -78.76 67.23 4.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.784 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -163.0 -43.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.319 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -99.3 -22.6 15.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.821 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 235' ' ' ALA . . . . . 0.89 ' HB2' ' HB2' ' P' ' 230' ' ' PRO . . . -76.84 -57.13 4.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.042 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.21 109.65 0.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.8 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 99.989999999999995 110.893 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' W' W ' 521' ' ' GLY . . . . . 0.468 ' N ' ' CD ' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 110.098 -1.201 . . . . 99.989999999999995 110.098 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' W' W ' 522' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' W' ' 521' ' ' GLY . 39.3 Cg_exo -57.23 -32.54 93.87 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.687 2.258 . . . . 0.0 112.393 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.99 73.55 0.47 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.926 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -112.67 133.12 11.15 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.435 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.44 94.46 9.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -145.21 96.1 0.18 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.436 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -156.13 74.99 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 110.826 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.88 124.95 25.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.032 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' W' W ' 529' ' ' GLU . . . . . 0.422 ' HB3' ' CD ' ' W' ' 561' ' ' ARG . 18.4 tp10 -86.78 140.31 33.26 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.711 179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -86.24 38.3 0.58 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.845 2.364 . . . . 0.0 113.139 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' W' W ' 531' ' ' LEU . . . . . 0.614 HD13 ' HA ' ' W' ' 536' ' ' SER . 1.4 mt 61.99 125.67 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' W' W ' 532' ' ' PRO . . . . . 0.467 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 75.7 Cg_exo -49.64 -174.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.483 2.122 . . . . 0.0 113.397 -179.135 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' W' W ' 533' ' ' PRO . . . . . 0.467 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 23.8 Cg_exo -67.36 -12.66 36.62 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.45 2.767 . . . . 0.0 115.122 -178.082 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' W' W ' 534' ' ' ARG . . . . . 0.438 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 24.3 mmt180 -141.89 42.05 1.69 Allowed 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 120.341 -0.544 . . . . 0.0 111.754 -178.697 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' W' W ' 535' ' ' TRP . . . . . 0.545 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 39.6 m95 -140.59 169.1 18.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.272 0.558 . . . . 0.0 112.337 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' W' W ' 536' ' ' SER . . . . . 0.614 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.1 OUTLIER -147.12 -159.37 1.02 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.65 -179.842 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' W' W ' 537' ' ' MET . . . . . 0.404 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 15.8 mtp -144.32 140.8 29.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.634 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' W' W ' 538' ' ' GLN . . . . . 0.465 ' O ' ' CD1' ' W' ' 546' ' ' PHE . 46.0 tt0 -165.71 136.27 3.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.237 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' W' W ' 539' ' ' VAL . . . . . 0.638 HG22 ' CG2' ' W' ' 545' ' ' THR . 4.8 t -84.39 127.32 39.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.745 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' W' W ' 540' ' ' ALA . . . . . 0.559 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -92.81 151.44 40.84 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.428 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' W' W ' 541' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' P' ' 230' ' ' PRO . 19.7 Cg_endo -58.3 -22.64 58.7 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.547 2.165 . . . . 0.0 111.78 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -54.56 -29.95 52.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.685 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 120.55 -4.36 12.03 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.765 -0.731 . . . . 0.0 113.005 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' W' W ' 544' ' ' ARG . . . . . 0.518 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.7 OUTLIER -131.18 157.01 44.34 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.012 0.434 . . . . 0.0 111.18 -179.862 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' W' W ' 545' ' ' THR . . . . . 0.638 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.2 OUTLIER -84.38 146.5 27.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.661 179.479 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' W' W ' 546' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 5.3 p90 -121.6 -179.36 4.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.012 0.434 . . . . 0.0 111.233 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' W' W ' 547' ' ' PHE . . . . . 0.489 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.5 OUTLIER -124.17 118.84 27.78 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.677 179.762 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' W' W ' 548' ' ' ILE . . . . . 0.548 ' HA ' HG22 ' W' ' 555' ' ' THR . 3.2 mt -79.93 147.06 6.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.395 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -126.87 115.76 19.8 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.877 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -81.39 -30.48 33.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.057 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -50.6 -37.57 40.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.11 -4.21 7.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.529 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' W' W ' 553' ' ' ARG . . . . . 0.474 ' HA ' ' CD2' ' P' ' 232' ' ' TYR . 17.9 mmt180 65.81 59.83 0.72 Allowed 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.637 0.256 . . . . 0.0 110.811 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' W' W ' 554' ' ' ARG . . . . . 0.444 ' CA ' ' HB3' ' P' ' 232' ' ' TYR . 53.5 mtm180 -149.76 -166.8 2.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.257 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' W' W ' 555' ' ' THR . . . . . 0.548 HG22 ' HA ' ' W' ' 548' ' ' ILE . 53.2 p -143.76 178.72 7.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -171.89 166.12 6.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.342 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' W' W ' 557' ' ' TRP . . . . . 0.518 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 24.0 m95 -92.0 19.78 6.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.508 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' W' W ' 558' ' ' ILE . . . . . 0.422 ' CG2' ' HA2' ' W' ' 563' ' ' GLY . 5.7 mm -133.26 141.8 43.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.048 0.451 . . . . 0.0 112.048 -178.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' W' W ' 559' ' ' ASP . . . . . 0.421 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 3.4 m-20 -91.82 110.1 41.42 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.79 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' W' W ' 560' ' ' PRO . . . . . 0.545 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 5.2 Cg_endo -51.5 -25.76 20.1 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.073 1.849 . . . . 0.0 111.832 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' W' W ' 561' ' ' ARG . . . . . 0.422 ' CD ' ' HB3' ' W' ' 529' ' ' GLU . 0.2 OUTLIER -63.14 -22.25 66.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.918 179.633 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -138.51 -69.21 0.44 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.665 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' W' W ' 563' ' ' GLY . . . . . 0.422 ' HA2' ' CG2' ' W' ' 558' ' ' ILE . . . 124.05 44.48 0.3 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.51 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' W' W ' 564' ' ' ARG . . . . . 0.422 ' N ' HG23 ' W' ' 558' ' ' ILE . 16.7 mtt180 -141.17 169.38 17.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.945 0.402 . . . . 0.0 111.046 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.53 117.69 7.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.225 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' W' W ' 566' ' ' SER . . . . . 0.4 ' HB2' ' OD1' ' W' ' 559' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.045 -0.525 . . . . 99.989999999999995 110.717 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 3.9 t . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.807 0.337 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . 113.48 40.5 1.02 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.577 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 229' ' ' LEU . . . . . 0.497 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 0.9 OUTLIER -101.75 104.37 34.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.501 0.191 . . . . 0.0 111.03 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' P' P ' 230' ' ' PRO . . . . . 0.771 ' HB2' ' HB2' ' P' ' 235' ' ' ALA . 22.7 Cg_exo -64.08 96.05 0.21 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.43 2.087 . . . . 0.0 111.698 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 16.5 p -46.54 154.25 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.478 -179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 232' ' ' TYR . . . . . 0.501 ' CG ' HG23 ' W' ' 548' ' ' ILE . 1.1 t80 -66.89 73.85 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -176.34 -39.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.381 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -113.46 22.89 13.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.873 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 235' ' ' ALA . . . . . 0.771 ' HB2' ' HB2' ' P' ' 230' ' ' PRO . . . -119.75 -37.26 3.15 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.099 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 3.8 tt -59.28 117.6 4.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 41.3 m170 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 99.989999999999995 110.927 179.908 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' W' W ' 521' ' ' GLY . . . . . 0.599 ' N ' ' HD2' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.466 0 N-CA-C 110.11 -1.196 . . . . 99.989999999999995 110.11 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' W' W ' 522' ' ' PRO . . . . . 0.599 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 59.6 Cg_endo -71.92 80.84 1.45 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.666 2.244 . . . . 0.0 112.438 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 49.5 76.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.039 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -166.01 129.13 1.88 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 23.5 p -111.16 76.81 1.0 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.832 0.349 . . . . 0.0 110.769 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . 153.16 161.83 10.59 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 51.45 89.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 178.93 102.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' W' W ' 529' ' ' GLU . . . . . 0.427 ' O ' ' NE ' ' W' ' 561' ' ' ARG . 2.5 tp10 -72.77 140.26 81.06 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.713 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' W' W ' 530' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' W' ' 529' ' ' GLU . 52.1 Cg_exo -55.81 168.63 1.64 Allowed 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.374 2.049 . . . . 0.0 112.311 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' W' W ' 531' ' ' LEU . . . . . 0.702 HD13 ' HA ' ' W' ' 536' ' ' SER . 3.9 mt -87.21 137.0 33.0 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.107 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' W' W ' 532' ' ' PRO . . . . . 0.491 ' HB2' ' CD1' ' W' ' 535' ' ' TRP . 77.4 Cg_exo -49.69 -176.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.329 2.02 . . . . 0.0 112.942 -179.275 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' W' W ' 533' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 19.0 Cg_exo -70.03 -2.47 10.43 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 123.26 2.64 . . . . 0.0 115.142 -177.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' W' W ' 534' ' ' ARG . . . . . 0.431 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 16.2 mmt180 -150.5 39.52 0.73 Allowed 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 120.089 -0.645 . . . . 0.0 111.709 -179.142 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' W' W ' 535' ' ' TRP . . . . . 0.545 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 31.9 m95 -138.82 169.66 17.4 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' W' W ' 536' ' ' SER . . . . . 0.702 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.1 OUTLIER -144.12 -158.5 0.89 Allowed 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.44 -179.884 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' W' W ' 537' ' ' MET . . . . . 0.441 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 34.5 mtp -143.5 145.75 32.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.607 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' W' W ' 538' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -169.2 134.1 1.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 0.0 111.408 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' W' W ' 539' ' ' VAL . . . . . 0.653 HG22 ' CG2' ' W' ' 545' ' ' THR . 11.7 t -85.67 125.62 40.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.577 179.373 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' W' W ' 540' ' ' ALA . . . . . 0.775 ' HB2' ' CD1' ' W' ' 546' ' ' PHE . . . -96.73 148.68 34.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.567 -179.203 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -56.69 -24.38 54.42 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.602 2.201 . . . . 0.0 111.723 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -48.09 -44.65 31.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.854 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 140.03 -16.32 3.01 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.722 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' W' W ' 544' ' ' ARG . . . . . 0.482 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -128.29 154.39 45.96 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.009 0.433 . . . . 0.0 111.253 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' W' W ' 545' ' ' THR . . . . . 0.653 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.8 OUTLIER -75.14 144.75 42.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.411 179.588 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' W' W ' 546' ' ' PHE . . . . . 0.775 ' CD1' ' HB2' ' W' ' 540' ' ' ALA . 13.0 p90 -119.97 162.6 18.93 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' W' W ' 547' ' ' PHE . . . . . 0.459 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.5 OUTLIER -109.35 127.45 54.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.148 -179.747 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' W' W ' 548' ' ' ILE . . . . . 0.625 HG23 ' CG ' ' P' ' 232' ' ' TYR . 2.7 mp -86.74 143.88 10.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.366 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' W' W ' 549' ' ' ASP . . . . . 0.444 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 26.0 t70 -123.66 114.23 19.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.171 -179.27 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -78.76 -34.4 45.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.063 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -49.57 -36.37 23.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.014 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.64 -3.11 8.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.603 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' W' W ' 553' ' ' ARG . . . . . 0.448 ' HA ' ' CD2' ' P' ' 232' ' ' TYR . 25.5 mmt85 61.26 58.83 2.08 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.734 0.302 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' W' W ' 554' ' ' ARG . . . . . 0.441 ' CA ' ' HB3' ' P' ' 232' ' ' TYR . 39.3 mtp180 -149.58 -171.22 3.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 0.0 111.209 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' W' W ' 555' ' ' THR . . . . . 0.522 HG22 HG13 ' W' ' 548' ' ' ILE . 43.0 p -141.59 174.69 10.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.242 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' W' W ' 556' ' ' THR . . . . . 0.467 HG23 ' H ' ' W' ' 558' ' ' ILE . 9.3 t -168.69 168.22 10.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.279 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' W' W ' 557' ' ' TRP . . . . . 0.488 ' CE2' ' HB2' ' P' ' 229' ' ' LEU . 27.7 m95 -91.6 20.51 5.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.293 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' W' W ' 558' ' ' ILE . . . . . 0.467 ' H ' HG23 ' W' ' 556' ' ' THR . 5.4 mm -133.23 139.18 49.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.042 0.449 . . . . 0.0 111.917 -179.06 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' W' W ' 559' ' ' ASP . . . . . 0.431 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 3.2 m-20 -93.57 113.77 61.17 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.282 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' W' W ' 560' ' ' PRO . . . . . 0.545 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 7.7 Cg_endo -52.94 -25.9 29.61 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 121.936 1.757 . . . . 0.0 111.692 179.489 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' W' W ' 561' ' ' ARG . . . . . 0.427 ' NE ' ' O ' ' W' ' 529' ' ' GLU . 0.5 OUTLIER -60.78 -26.39 67.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.593 179.694 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -134.3 -68.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.75 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 122.67 39.19 0.55 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.464 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -133.04 172.77 12.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.807 0.337 . . . . 0.0 111.044 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' W' W ' 565' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' W' ' 557' ' ' TRP . . . -67.12 65.09 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.494 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 3.6 p . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.369 -0.378 . . . . 99.989999999999995 111.387 179.716 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 120.853 0.358 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' P' P ' 228' ' ' GLY . . . . . 0.411 ' O ' ' HD3' ' P' ' 230' ' ' PRO . . . 139.91 50.9 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.327 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 229' ' ' LEU . . . . . 0.488 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 3.5 tp -111.62 87.67 8.39 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.627 0.251 . . . . 0.0 110.977 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 230' ' ' PRO . . . . . 0.73 ' HB2' ' HB2' ' P' ' 235' ' ' ALA . 52.7 Cg_exo -51.54 101.22 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.316 2.01 . . . . 0.0 111.735 179.583 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 231' ' ' SER . . . . . 0.406 ' HA ' ' OG1' ' W' ' 555' ' ' THR . 52.5 p -51.3 152.0 2.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.038 -179.626 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 232' ' ' TYR . . . . . 0.625 ' CG ' HG23 ' W' ' 548' ' ' ILE . 1.2 t80 -62.17 81.99 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.085 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 5.8 t70 179.89 -37.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.467 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.49 18.4 13.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.15 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 235' ' ' ALA . . . . . 0.73 ' HB2' ' HB2' ' P' ' 230' ' ' PRO . . . -113.29 -36.92 4.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.87 0.367 . . . . 0.0 111.231 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 1.6 tt -59.06 122.97 15.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 99.989999999999995 110.92 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' W' W ' 521' ' ' GLY . . . . . 0.47 ' N ' ' CD ' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 110.094 -1.203 . . . . 99.989999999999995 110.094 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' W' W ' 522' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' W' ' 521' ' ' GLY . 51.8 Cg_exo -54.31 -170.51 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.602 2.202 . . . . 0.0 112.238 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' W' W ' 523' ' ' LEU . . . . . 0.711 ' N ' HD23 ' W' ' 523' ' ' LEU . 0.3 OUTLIER -138.18 41.43 2.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.942 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -106.57 -23.64 7.11 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 2.0 t -76.17 83.32 2.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.858 0.361 . . . . 0.0 110.842 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -123.37 -133.94 4.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.541 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.1 -62.2 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.77 0.319 . . . . 0.0 111.035 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -134.27 119.56 18.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.008 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' W' W ' 529' ' ' GLU . . . . . 0.447 ' CB ' ' HB2' ' W' ' 561' ' ' ARG . 2.5 tp10 -104.27 154.81 38.01 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.416 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' W' W ' 530' ' ' PRO . . . . . 0.429 ' HD2' ' HG3' ' W' ' 529' ' ' GLU . 3.2 Cg_endo -86.91 30.55 0.47 Allowed 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.978 2.452 . . . . 0.0 113.043 -179.475 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' W' W ' 531' ' ' LEU . . . . . 0.652 HD13 ' HA ' ' W' ' 536' ' ' SER . 2.2 mt 61.96 132.2 0.03 OUTLIER Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 120.548 0.213 . . . . 0.0 110.595 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' W' W ' 532' ' ' PRO . . . . . 0.466 ' HB2' ' CD1' ' W' ' 535' ' ' TRP . 75.2 Cg_exo -50.23 -174.23 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.415 2.077 . . . . 0.0 113.057 -179.542 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' W' W ' 533' ' ' PRO . . . . . 0.465 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 22.0 Cg_exo -68.77 -13.18 36.43 Favored 'Trans proline' 0 CA--C 1.518 -0.299 0 C-N-CA 123.313 2.675 . . . . 0.0 115.154 -178.197 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' W' W ' 534' ' ' ARG . . . . . 0.438 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 11.3 mmt180 -142.82 45.33 1.59 Allowed 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 120.263 -0.575 . . . . 0.0 111.788 -178.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' W' W ' 535' ' ' TRP . . . . . 0.539 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 38.5 m95 -141.8 169.54 17.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.211 0.529 . . . . 0.0 112.383 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' W' W ' 536' ' ' SER . . . . . 0.652 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.1 OUTLIER -145.81 -158.87 0.94 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.412 179.879 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' W' W ' 537' ' ' MET . . . . . 0.444 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 27.4 mtp -145.52 146.76 31.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.833 0.349 . . . . 0.0 110.958 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' W' W ' 538' ' ' GLN . . . . . 0.469 ' HG2' ' CZ ' ' W' ' 546' ' ' PHE . 41.2 tt0 -168.95 137.32 2.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.961 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' W' W ' 539' ' ' VAL . . . . . 0.834 HG22 ' CG2' ' W' ' 545' ' ' THR . 31.8 t -85.88 130.35 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.86 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' W' W ' 540' ' ' ALA . . . . . 0.805 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -100.36 148.52 35.04 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.355 -179.67 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.11 -22.73 65.68 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.513 2.142 . . . . 0.0 111.547 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -49.5 -43.77 45.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.745 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 140.18 -14.19 3.03 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.692 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' W' W ' 544' ' ' ARG . . . . . 0.502 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.15 155.19 47.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.953 0.406 . . . . 0.0 111.235 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' W' W ' 545' ' ' THR . . . . . 0.834 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.5 OUTLIER -78.08 146.4 35.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.097 179.179 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' W' W ' 546' ' ' PHE . . . . . 0.805 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 5.9 p90 -119.11 166.03 13.42 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.043 0.449 . . . . 0.0 111.137 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' W' W ' 547' ' ' PHE . . . . . 0.555 ' CZ ' HD22 ' W' ' 531' ' ' LEU . 0.3 OUTLIER -111.01 123.01 49.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.371 -179.463 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' W' W ' 548' ' ' ILE . . . . . . . . . . . . . 3.1 mt -83.27 144.35 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.371 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' W' W ' 549' ' ' ASP . . . . . 0.456 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 58.7 t0 -123.37 115.71 22.09 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.792 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -79.58 -29.65 41.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -52.28 -46.1 65.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.62 -4.77 13.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.513 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' W' W ' 553' ' ' ARG . . . . . 0.49 ' HA ' ' CD2' ' P' ' 232' ' ' TYR . 0.8 OUTLIER 65.02 49.45 2.06 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.782 0.325 . . . . 0.0 110.956 -179.725 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 10.3 mtp85 -141.43 -172.45 3.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.963 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' W' W ' 555' ' ' THR . . . . . 0.589 HG23 ' N ' ' P' ' 232' ' ' TYR . 52.8 p -135.87 -176.84 4.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.863 0.363 . . . . 0.0 111.432 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -174.48 166.1 3.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.157 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' W' W ' 557' ' ' TRP . . . . . 0.502 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 22.2 m95 -91.29 19.25 6.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.418 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 4.9 mm -132.5 140.21 48.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.001 0.429 . . . . 0.0 111.826 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' W' W ' 559' ' ' ASP . . . . . 0.515 ' HB3' ' CE2' ' W' ' 547' ' ' PHE . 21.5 p30 -94.06 110.78 50.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' W' W ' 560' ' ' PRO . . . . . 0.539 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 5.0 Cg_endo -50.89 -31.36 33.52 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.212 1.942 . . . . 0.0 112.217 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' W' W ' 561' ' ' ARG . . . . . 0.447 ' HB2' ' CB ' ' W' ' 529' ' ' GLU . 0.1 OUTLIER -56.13 -22.39 28.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.015 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' W' W ' 562' ' ' ASN . . . . . 0.42 ' ND2' ' OD2' ' W' ' 559' ' ' ASP . 3.3 m-20 -136.63 -65.6 0.55 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.858 0.361 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 122.49 33.2 0.89 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.534 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -134.61 179.05 6.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.938 0.399 . . . . 0.0 110.853 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -56.72 111.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.061 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.077 -0.511 . . . . 99.989999999999995 110.996 -179.84 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 17.0 p . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.822 0.344 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' P' P ' 228' ' ' GLY . . . . . 0.402 ' O ' ' HD3' ' P' ' 230' ' ' PRO . . . 66.01 44.0 92.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.562 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 229' ' ' LEU . . . . . 0.501 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 1.0 OUTLIER -110.17 91.48 11.46 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.732 0.301 . . . . 0.0 111.026 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' P' P ' 230' ' ' PRO . . . . . 0.568 ' CB ' ' HB2' ' P' ' 235' ' ' ALA . 76.9 Cg_exo -49.48 91.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.54 2.16 . . . . 0.0 111.776 179.548 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -48.29 161.26 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.403 -179.42 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 232' ' ' TYR . . . . . 0.589 ' N ' HG23 ' W' ' 555' ' ' THR . 1.0 OUTLIER -70.55 76.36 0.58 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.889 -179.888 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -176.52 -44.09 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.419 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -114.64 21.34 14.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.958 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 235' ' ' ALA . . . . . 0.568 ' HB2' ' CB ' ' P' ' 230' ' ' PRO . . . -114.11 -40.23 3.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.841 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.04 -43.61 73.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.814 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 99.989999999999995 110.891 179.947 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' W' W ' 521' ' ' GLY . . . . . 0.627 ' N ' ' HD2' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.455 0 N-CA-C 110.101 -1.199 . . . . 99.989999999999995 110.101 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' W' W ' 522' ' ' PRO . . . . . 0.627 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 56.0 Cg_endo -69.93 -177.18 1.81 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.573 2.182 . . . . 0.0 112.312 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 2.2 tp -100.33 71.24 1.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.805 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -49.32 155.77 1.84 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.549 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 1.4 m -100.41 27.4 5.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.371 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -107.59 173.75 18.85 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.676 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.89 26.62 3.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.849 0.357 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -66.57 85.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.757 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' W' W ' 529' ' ' GLU . . . . . 0.406 ' HB2' ' CZ ' ' W' ' 561' ' ' ARG . 0.2 OUTLIER -71.22 149.59 94.3 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.077 -179.806 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.46 136.75 73.66 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.662 2.242 . . . . 0.0 112.706 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' W' W ' 531' ' ' LEU . . . . . 0.706 HD13 ' HA ' ' W' ' 536' ' ' SER . 4.0 mt -90.37 136.75 28.08 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.753 179.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' W' W ' 532' ' ' PRO . . . . . 0.498 ' HB2' ' CD1' ' W' ' 535' ' ' TRP . 74.6 Cg_exo -49.72 -176.76 0.01 OUTLIER 'Trans proline' 0 CA--C 1.53 0.309 0 C-N-CA 122.322 2.015 . . . . 0.0 113.31 -178.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' W' W ' 533' ' ' PRO . . . . . 0.419 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 19.1 Cg_exo -70.01 -2.99 11.28 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 123.472 2.781 . . . . 0.0 115.159 -177.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' W' W ' 534' ' ' ARG . . . . . 0.439 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 5.7 mmt180 -149.85 40.08 0.8 Allowed 'General case' 0 C--N 1.314 -0.939 0 C-N-CA 120.23 -0.588 . . . . 0.0 111.511 -179.133 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' W' W ' 535' ' ' TRP . . . . . 0.517 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 30.1 m95 -140.22 169.29 17.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.391 0.615 . . . . 0.0 112.467 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' W' W ' 536' ' ' SER . . . . . 0.706 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.2 OUTLIER -146.29 -160.87 1.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.291 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' W' W ' 537' ' ' MET . . . . . 0.458 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 37.2 mtp -142.29 136.78 30.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.67 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' W' W ' 538' ' ' GLN . . . . . 0.475 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 1.4 tp60 -159.61 129.07 5.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.122 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' W' W ' 539' ' ' VAL . . . . . 0.952 HG22 ' CG2' ' W' ' 545' ' ' THR . 21.4 t -79.45 131.51 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.707 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' W' W ' 540' ' ' ALA . . . . . 0.79 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -99.21 151.9 37.58 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -60.85 -23.49 76.96 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.458 2.105 . . . . 0.0 111.41 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' W' W ' 542' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' P' ' 228' ' ' GLY . 58.7 t30 -48.77 -38.89 23.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.703 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 132.3 -11.23 5.29 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.645 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' W' W ' 544' ' ' ARG . . . . . 0.5 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.2 156.34 45.51 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.988 0.423 . . . . 0.0 111.136 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' W' W ' 545' ' ' THR . . . . . 0.952 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.6 OUTLIER -83.12 146.46 28.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.517 179.628 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' W' W ' 546' ' ' PHE . . . . . 0.79 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 5.3 p90 -119.38 -178.4 3.59 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' W' W ' 547' ' ' PHE . . . . . 0.51 ' CZ ' HD22 ' W' ' 531' ' ' LEU . 0.5 OUTLIER -124.48 124.17 41.72 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.886 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' W' W ' 548' ' ' ILE . . . . . 0.537 ' HA ' HG22 ' W' ' 555' ' ' THR . 2.9 mp -85.1 146.52 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.553 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -123.76 113.02 18.02 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.813 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' W' W ' 550' ' ' HIS . . . . . 0.413 ' CD2' ' N ' ' W' ' 550' ' ' HIS . 6.9 m170 -77.99 -32.11 51.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.027 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -48.56 -41.75 31.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' W' W ' 552' ' ' SER . . . . . 0.413 ' HB3' ' NE ' ' W' ' 554' ' ' ARG . 0.1 OUTLIER -122.65 1.68 9.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.531 179.787 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' W' W ' 553' ' ' ARG . . . . . 0.489 ' HD3' ' CE2' ' P' ' 232' ' ' TYR . 25.9 mmt85 60.63 60.79 1.85 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.777 0.323 . . . . 0.0 110.941 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' W' W ' 554' ' ' ARG . . . . . 0.413 ' NE ' ' HB3' ' W' ' 552' ' ' SER . 49.9 mtm180 -146.89 -167.04 2.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.723 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' W' W ' 555' ' ' THR . . . . . 0.537 HG22 ' HA ' ' W' ' 548' ' ' ILE . 63.6 p -146.05 178.74 7.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.829 0.347 . . . . 0.0 110.931 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' W' W ' 556' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' W' ' 546' ' ' PHE . 0.0 OUTLIER -171.75 164.13 6.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.318 179.846 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' W' W ' 557' ' ' TRP . . . . . 0.5 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 20.6 m95 -87.89 16.53 5.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.539 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' W' W ' 558' ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' W' ' 564' ' ' ARG . 5.0 mm -128.58 142.4 44.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.057 0.456 . . . . 0.0 111.686 -178.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' W' W ' 559' ' ' ASP . . . . . 0.448 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 1.3 m-20 -98.84 110.68 58.33 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.97 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' W' W ' 560' ' ' PRO . . . . . 0.517 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 3.3 Cg_endo -49.32 -34.33 31.62 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.88 1.72 . . . . 0.0 111.263 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' W' W ' 561' ' ' ARG . . . . . 0.406 ' CZ ' ' HB2' ' W' ' 529' ' ' GLU . 0.0 OUTLIER -53.7 -28.37 33.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.587 179.503 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -130.07 -68.12 0.72 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.045 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 119.5 39.28 0.68 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.424 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' W' W ' 564' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' W' ' 558' ' ' ILE . 0.0 OUTLIER -138.56 175.45 9.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.611 0.243 . . . . 0.0 110.903 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -65.93 67.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.57 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.437 . . . . 99.989999999999995 111.326 179.647 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' P' P ' 227' ' ' THR . . . . . 0.43 HG23 ' O ' ' P' ' 227' ' ' THR . 10.1 t . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.74 0.305 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 228' ' ' GLY . . . . . 0.417 ' O ' ' HD3' ' P' ' 230' ' ' PRO . . . -120.68 73.46 0.34 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.53 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 229' ' ' LEU . . . . . 0.487 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 0.5 OUTLIER -109.51 81.26 1.77 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.617 0.246 . . . . 0.0 111.351 -179.891 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' P' P ' 230' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' P' ' 228' ' ' GLY . 79.7 Cg_exo -43.43 100.48 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.419 2.079 . . . . 0.0 111.749 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.5 157.55 1.04 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.268 -179.414 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 232' ' ' TYR . . . . . 0.524 ' HB2' HG23 ' W' ' 555' ' ' THR . 1.0 OUTLIER -68.27 73.35 0.21 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.625 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -171.52 -40.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.563 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -109.13 16.38 22.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.293 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -109.57 -40.95 4.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.733 0.301 . . . . 0.0 111.147 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.19 110.68 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.841 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 99.989999999999995 110.93 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' W' W ' 521' ' ' GLY . . . . . 0.472 ' N ' ' CD ' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.449 0 N-CA-C 110.112 -1.195 . . . . 99.989999999999995 110.112 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' W' W ' 522' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' W' ' 521' ' ' GLY . 74.1 Cg_exo -51.25 157.98 3.98 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.606 2.204 . . . . 0.0 112.308 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 3.5 mt -56.43 91.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -156.73 -89.85 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.543 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 41.9 t -163.71 94.11 0.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.874 0.369 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -157.91 -62.99 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.556 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.74 -76.69 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.342 . . . . 0.0 111.003 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 69.34 -171.47 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.803 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' W' W ' 529' ' ' GLU . . . . . 0.434 ' CB ' ' HD2' ' W' ' 561' ' ' ARG . 0.6 OUTLIER -65.53 148.98 97.77 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.883 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -88.47 31.73 0.41 Allowed 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 122.92 2.413 . . . . 0.0 112.789 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' W' W ' 531' ' ' LEU . . . . . 0.759 HD21 ' HG3' ' W' ' 537' ' ' MET . 10.0 mt 57.35 107.81 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.564 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' W' W ' 532' ' ' PRO . . . . . 0.504 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 23.3 Cg_exo -41.45 170.94 0.01 OUTLIER 'Trans proline' 0 CA--C 1.534 0.486 0 C-N-CA 123.269 2.646 . . . . 0.0 113.307 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' W' W ' 533' ' ' PRO . . . . . 0.504 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 35.9 Cg_exo -31.52 -62.61 0.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 123.871 3.047 . . . . 0.0 115.03 -178.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' W' W ' 534' ' ' ARG . . . . . 0.476 ' O ' ' CG ' ' W' ' 535' ' ' TRP . 10.1 mmm180 -116.82 70.73 0.78 Allowed 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.343 -178.663 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' W' W ' 535' ' ' TRP . . . . . 0.532 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 96.3 m95 -159.81 153.7 23.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.818 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' W' W ' 536' ' ' SER . . . . . 0.74 ' HA ' HD13 ' W' ' 531' ' ' LEU . 3.5 m -154.84 -174.35 4.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.829 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' W' W ' 537' ' ' MET . . . . . 0.759 ' HG3' HD21 ' W' ' 531' ' ' LEU . 3.9 mtm -124.26 150.18 45.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.74 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' W' W ' 538' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -168.09 141.62 3.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.076 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 12.9 p -87.52 136.98 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.82 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' W' W ' 540' ' ' ALA . . . . . 0.795 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -109.02 157.09 37.92 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.241 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -62.0 -30.43 83.15 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.64 2.227 . . . . 0.0 111.879 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -48.99 -34.23 12.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.906 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 124.8 -3.92 8.57 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.654 -0.784 . . . . 0.0 113.2 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' W' W ' 544' ' ' ARG . . . . . 0.525 ' HG3' ' CE3' ' W' ' 557' ' ' TRP . 2.4 ptt180 -130.84 152.21 50.43 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 117.036 0.418 . . . . 0.0 111.153 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.64 146.88 32.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.048 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' W' W ' 546' ' ' PHE . . . . . 0.795 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 23.0 p90 -128.96 168.7 15.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' W' W ' 547' ' ' PHE . . . . . 0.517 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.9 OUTLIER -102.62 150.71 23.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.377 179.176 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' W' W ' 548' ' ' ILE . . . . . 0.464 ' CG2' ' CD2' ' P' ' 232' ' ' TYR . 4.7 mt -107.41 109.42 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.32 -0.4 . . . . 0.0 112.016 -179.03 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' W' W ' 549' ' ' ASP . . . . . 0.472 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 17.1 t70 -83.18 105.8 14.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.89 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' W' W ' 550' ' ' HIS . . . . . 0.409 ' HB2' ' HB3' ' W' ' 534' ' ' ARG . 25.6 m80 -75.03 -26.05 59.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.794 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -53.34 -34.01 55.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' W' W ' 552' ' ' SER . . . . . 0.4 ' O ' ' HG3' ' W' ' 554' ' ' ARG . 0.2 OUTLIER -136.91 18.53 3.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.279 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? 49.15 49.32 19.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.849 0.357 . . . . 0.0 111.034 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' W' W ' 554' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' W' ' 552' ' ' SER . 6.1 mtp180 -126.58 -176.72 3.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' W' W ' 555' ' ' THR . . . . . 0.52 HG21 ' CE2' ' W' ' 546' ' ' PHE . 20.0 p -135.57 170.69 15.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.1 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' W' W ' 556' ' ' THR . . . . . 0.513 ' N ' HD11 ' P' ' 229' ' ' LEU . 0.2 OUTLIER -165.94 157.99 14.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.368 . . . . 0.0 111.256 -179.839 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' W' W ' 557' ' ' TRP . . . . . 0.525 ' CE3' ' HG3' ' W' ' 544' ' ' ARG . 16.8 m95 -84.31 11.86 7.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.072 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' W' W ' 558' ' ' ILE . . . . . 0.406 HG22 ' N ' ' W' ' 559' ' ' ASP . 4.9 mm -132.1 156.29 42.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.891 0.377 . . . . 0.0 111.673 -179.088 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' W' W ' 559' ' ' ASP . . . . . 0.499 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 2.5 p30 -114.66 134.05 22.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.178 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' W' W ' 560' ' ' PRO . . . . . 0.532 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 45.2 Cg_endo -72.38 -3.05 12.67 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.446 2.097 . . . . 0.0 112.702 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' W' W ' 561' ' ' ARG . . . . . 0.434 ' HD2' ' CB ' ' W' ' 529' ' ' GLU . 7.1 mtm180 -80.85 -34.75 33.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.016 0.436 . . . . 0.0 110.239 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -129.03 -43.42 1.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.572 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 101.3 23.13 9.84 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.306 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -124.89 171.5 10.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 110.834 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -56.77 98.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.031 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 99.989999999999995 110.912 179.884 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 20.7 p . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.825 0.345 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . 96.76 23.27 16.04 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.513 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 229' ' ' LEU . . . . . 0.513 HD11 ' N ' ' W' ' 556' ' ' THR . 6.4 tp -96.12 110.43 52.08 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.463 0.173 . . . . 0.0 110.948 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.68 -150.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.442 2.095 . . . . 0.0 111.575 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 5.5 t -168.69 52.16 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.412 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 232' ' ' TYR . . . . . 0.464 ' CD2' ' CG2' ' W' ' 548' ' ' ILE . 0.9 OUTLIER 68.38 -64.83 0.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.063 179.326 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -63.19 -34.49 77.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -95.58 31.97 1.91 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.75 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -174.77 87.83 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.978 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.53 41.19 0.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 99.989999999999995 110.875 -179.965 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' W' W ' 521' ' ' GLY . . . . . 0.601 ' N ' ' HD2' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 110.09 -1.204 . . . . 99.989999999999995 110.09 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' W' W ' 522' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 55.7 Cg_endo -70.57 158.43 55.92 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.588 2.192 . . . . 0.0 112.383 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.77 -31.03 72.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . 102.25 -25.74 26.67 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.596 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 69.83 25.67 4.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 0.0 110.869 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -120.28 -89.69 1.15 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.66 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -159.33 -43.17 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 0.0 111.083 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 70.56 -73.35 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.072 0.463 . . . . 0.0 110.923 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' W' W ' 529' ' ' GLU . . . . . 0.426 ' CG ' ' HB3' ' W' ' 561' ' ' ARG . 15.7 tp10 -178.43 132.78 0.3 Allowed Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.884 179.857 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -84.08 136.97 7.12 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.73 2.286 . . . . 0.0 112.492 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' W' W ' 531' ' ' LEU . . . . . 0.953 HD13 ' HA ' ' W' ' 536' ' ' SER . 2.1 mt -54.15 135.33 59.24 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.631 179.903 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' W' W ' 532' ' ' PRO . . . . . 0.471 ' HG2' ' HG2' ' W' ' 560' ' ' PRO . 70.9 Cg_exo -50.35 -178.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.668 2.246 . . . . 0.0 113.359 -179.479 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' W' W ' 533' ' ' PRO . . . . . 0.448 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 37.7 Cg_exo -54.41 -29.38 58.52 Favored 'Trans proline' 0 CA--C 1.516 -0.383 0 C-N-CA 123.446 2.764 . . . . 0.0 114.961 -178.498 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' W' W ' 534' ' ' ARG . . . . . 0.41 ' HB3' ' N ' ' W' ' 551' ' ' ALA . 13.9 mmm-85 -132.3 53.32 2.01 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -178.104 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' W' W ' 535' ' ' TRP . . . . . 0.566 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 58.2 m95 -144.72 161.35 39.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.253 0.549 . . . . 0.0 112.399 179.681 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' W' W ' 536' ' ' SER . . . . . 0.953 ' HA ' HD13 ' W' ' 531' ' ' LEU . 1.2 m -150.74 -171.37 3.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.23 -179.85 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' W' W ' 537' ' ' MET . . . . . 0.765 ' CG ' HD21 ' W' ' 531' ' ' LEU . 45.6 mtm -134.76 148.32 50.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.748 179.846 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' W' W ' 538' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -164.19 151.59 12.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.011 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' W' W ' 539' ' ' VAL . . . . . 0.864 HG22 ' CG2' ' W' ' 545' ' ' THR . 8.0 t -99.02 132.06 45.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.761 179.749 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' W' W ' 540' ' ' ALA . . . . . 0.804 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -105.21 165.25 13.51 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.16 -179.654 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' W' W ' 541' ' ' PRO . . . . . 0.715 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 39.0 Cg_endo -66.11 -24.34 52.07 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.555 2.17 . . . . 0.0 111.687 179.667 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' W' W ' 542' ' ' ASN . . . . . 0.454 ' ND2' ' NE ' ' W' ' 544' ' ' ARG . 53.9 t30 -51.73 -25.72 7.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.726 179.698 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 114.4 -7.48 22.73 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 113.012 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' W' W ' 544' ' ' ARG . . . . . 0.524 ' HG3' ' CE3' ' W' ' 557' ' ' TRP . 9.0 ptp180 -131.04 158.44 40.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.999 0.399 . . . . 0.0 111.201 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' W' W ' 545' ' ' THR . . . . . 0.864 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.7 OUTLIER -84.86 146.73 27.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.827 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' W' W ' 546' ' ' PHE . . . . . 0.804 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 3.8 p90 -119.5 173.57 6.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.304 -179.907 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' W' W ' 547' ' ' PHE . . . . . 0.812 ' CE2' HD23 ' W' ' 531' ' ' LEU . 2.2 m-85 -112.87 123.53 50.52 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 121.294 0.569 . . . . 0.0 111.321 -179.886 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' W' W ' 548' ' ' ILE . . . . . 0.463 ' CG2' ' CD2' ' P' ' 232' ' ' TYR . 4.5 mt -83.42 146.63 6.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.217 -0.902 . . . . 0.0 110.83 179.724 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -123.85 100.86 6.97 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.787 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' W' W ' 550' ' ' HIS . . . . . 0.462 ' HA ' ' CE2' ' P' ' 232' ' ' TYR . 21.4 m-70 -69.9 -24.57 63.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.05 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' W' W ' 551' ' ' ALA . . . . . 0.41 ' N ' ' HB3' ' W' ' 534' ' ' ARG . . . -63.36 -60.55 3.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.071 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.38 -1.38 41.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.646 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? 61.54 53.74 3.25 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.82 0.343 . . . . 0.0 110.81 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -137.9 179.14 6.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.027 -179.861 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 55.1 p -135.48 164.49 27.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.734 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' W' W ' 556' ' ' THR . . . . . 0.598 ' CA ' HD11 ' P' ' 229' ' ' LEU . 2.8 t -161.06 165.47 29.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.967 0.413 . . . . 0.0 111.408 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' W' W ' 557' ' ' TRP . . . . . 0.633 ' HH2' ' HB3' ' W' ' 540' ' ' ALA . 12.1 m95 -91.84 8.26 38.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.814 -179.86 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.4 mm -131.35 146.94 32.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.852 0.358 . . . . 0.0 111.095 -179.59 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' W' W ' 559' ' ' ASP . . . . . 0.506 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 2.7 p30 -90.34 140.03 26.97 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.231 -179.635 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' W' W ' 560' ' ' PRO . . . . . 0.566 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 45.4 Cg_endo -85.66 7.08 5.25 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.768 2.312 . . . . 0.0 112.594 179.484 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' W' W ' 561' ' ' ARG . . . . . 0.426 ' HB3' ' CG ' ' W' ' 529' ' ' GLU . 6.5 mtm180 -83.5 -44.6 14.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.978 0.418 . . . . 0.0 110.446 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -141.32 19.44 2.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.193 179.681 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 54.07 49.52 58.93 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.763 179.812 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.53 154.19 47.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.766 0.317 . . . . 0.0 110.831 179.841 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -74.76 137.3 41.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.12 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 99.989999999999995 110.914 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 36.5 p . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.863 0.363 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' P' P ' 228' ' ' GLY . . . . . 0.403 ' O ' ' HD3' ' P' ' 230' ' ' PRO . . . -137.35 21.73 3.26 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.54 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' P' P ' 229' ' ' LEU . . . . . 0.598 HD11 ' CA ' ' W' ' 556' ' ' THR . 0.4 OUTLIER -98.87 106.27 36.51 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.501 0.191 . . . . 0.0 110.801 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' P' P ' 230' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' P' ' 228' ' ' GLY . 35.6 Cg_exo -58.69 -149.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.595 2.197 . . . . 0.0 112.071 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 2.1 m -151.41 166.88 29.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.903 0.383 . . . . 0.0 111.266 -179.775 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' P' P ' 232' ' ' TYR . . . . . 0.463 ' CD2' ' CG2' ' W' ' 548' ' ' ILE . 2.6 t80 -65.71 88.39 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 171.96 -51.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.859 179.798 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -104.83 38.85 1.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -157.1 29.44 0.3 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.071 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 3.0 mp -94.89 -29.71 14.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.808 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 99.989999999999995 110.921 179.978 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' W' W ' 521' ' ' GLY . . . . . 0.689 ' N ' ' HD2' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.492 0 N-CA-C 110.093 -1.203 . . . . 99.989999999999995 110.093 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' W' W ' 522' ' ' PRO . . . . . 0.689 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 29.5 Cg_endo -62.66 -46.52 11.2 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.691 2.26 . . . . 0.0 112.158 179.89 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -157.09 85.54 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.787 179.901 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . 88.2 -122.3 6.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.521 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.37 149.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.772 0.32 . . . . 0.0 110.933 -179.915 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . 103.91 -120.02 6.53 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.494 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -176.6 -66.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.837 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.08 87.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.957 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' W' W ' 529' ' ' GLU . . . . . 0.421 ' HB3' ' HD3' ' W' ' 561' ' ' ARG . 3.4 tp10 -78.43 138.74 59.28 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.695 179.793 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -51.53 173.24 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.503 2.135 . . . . 0.0 112.348 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' W' W ' 531' ' ' LEU . . . . . 0.9 HD13 ' HA ' ' W' ' 536' ' ' SER . 4.3 mt -93.61 138.32 22.95 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.548 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' W' W ' 532' ' ' PRO . . . . . 0.471 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 71.1 Cg_exo -50.55 -174.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.659 2.239 . . . . 0.0 113.376 -179.176 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' W' W ' 533' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 16.7 Cg_exo -71.74 -5.18 16.53 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.552 2.835 . . . . 0.0 115.14 -177.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' W' W ' 534' ' ' ARG . . . . . 0.443 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 8.1 mmt85 -146.43 38.6 1.05 Allowed 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.201 -0.599 . . . . 0.0 111.664 -179.03 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' W' W ' 535' ' ' TRP . . . . . 0.539 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 33.7 m95 -140.07 169.02 18.46 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -179.657 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' W' W ' 536' ' ' SER . . . . . 0.9 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.1 OUTLIER -149.15 -159.02 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.336 -179.909 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' W' W ' 537' ' ' MET . . . . . 0.633 ' HG3' HD21 ' W' ' 531' ' ' LEU . 28.0 mtm -142.88 145.74 33.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.836 0.351 . . . . 0.0 110.997 179.929 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' W' W ' 538' ' ' GLN . . . . . 0.48 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 4.3 tp-100 -168.97 132.57 1.38 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.748 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' W' W ' 539' ' ' VAL . . . . . 0.837 HG22 ' CG2' ' W' ' 545' ' ' THR . 13.6 t -83.68 128.43 38.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.924 0.392 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' W' W ' 540' ' ' ALA . . . . . 0.554 ' HB2' ' CD1' ' W' ' 546' ' ' PHE . . . -91.39 150.66 41.7 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.132 -179.794 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.01 -23.56 73.51 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.494 2.129 . . . . 0.0 111.753 179.571 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -52.99 -32.14 44.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.7 179.648 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 124.07 -4.81 9.0 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.791 -0.719 . . . . 0.0 113.163 179.813 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' W' W ' 544' ' ' ARG . . . . . 0.514 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.3 OUTLIER -131.24 153.07 49.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 117.008 0.404 . . . . 0.0 111.252 -179.846 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' W' W ' 545' ' ' THR . . . . . 0.837 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.4 OUTLIER -82.46 146.31 29.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.491 179.365 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' W' W ' 546' ' ' PHE . . . . . 0.554 ' CD1' ' HB2' ' W' ' 540' ' ' ALA . 8.0 p90 -121.03 -177.74 3.57 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.026 0.441 . . . . 0.0 111.112 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' W' W ' 547' ' ' PHE . . . . . 0.534 ' CE2' HD22 ' W' ' 531' ' ' LEU . 0.8 OUTLIER -125.43 124.93 42.51 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.697 179.885 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' W' W ' 548' ' ' ILE . . . . . 0.616 HG13 HG22 ' W' ' 555' ' ' THR . 2.6 mp -86.28 149.53 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.474 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -127.51 118.72 24.53 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.98 -179.544 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -82.99 -29.62 28.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -48.8 -41.02 31.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.93 179.814 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.47 2.92 7.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.398 179.633 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 59.63 68.59 0.78 Allowed 'General case' 0 N--CA 1.456 -0.138 0 CA-C-O 120.741 0.305 . . . . 0.0 110.985 -179.924 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -154.03 -168.88 3.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.882 0.372 . . . . 0.0 111.306 -179.837 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' W' W ' 555' ' ' THR . . . . . 0.616 HG22 HG13 ' W' ' 548' ' ' ILE . 70.9 p -143.17 169.27 17.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.101 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' W' W ' 556' ' ' THR . . . . . 0.87 ' CA ' HD11 ' P' ' 229' ' ' LEU . 1.3 t -164.05 165.11 22.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.031 0.443 . . . . 0.0 111.397 179.846 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' W' W ' 557' ' ' TRP . . . . . 0.514 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 14.4 m95 -87.93 14.7 8.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.658 179.931 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' W' W ' 558' ' ' ILE . . . . . 0.43 ' CG2' ' HA2' ' W' ' 563' ' ' GLY . 5.3 mm -126.56 149.54 31.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.034 0.445 . . . . 0.0 112.077 -178.544 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' W' W ' 559' ' ' ASP . . . . . 0.425 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 2.1 m-20 -103.89 114.94 64.14 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.966 -179.725 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' W' W ' 560' ' ' PRO . . . . . 0.539 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 6.1 Cg_endo -52.06 -26.43 25.66 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.199 1.932 . . . . 0.0 111.902 179.859 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' W' W ' 561' ' ' ARG . . . . . 0.421 ' HD3' ' HB3' ' W' ' 529' ' ' GLU . 0.6 OUTLIER -63.98 -30.69 71.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.739 179.861 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -127.06 -68.57 0.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 179.771 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' W' W ' 563' ' ' GLY . . . . . 0.43 ' HA2' ' CG2' ' W' ' 558' ' ' ILE . . . 120.19 36.74 0.79 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -135.26 172.51 12.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.963 0.411 . . . . 0.0 111.088 -179.897 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' W' W ' 565' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' W' ' 557' ' ' TRP . . . -63.61 126.67 28.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.406 -179.777 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' W' W ' 566' ' ' SER . . . . . 0.4 ' HB2' ' OD1' ' W' ' 559' ' ' ASP . 2.0 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 99.989999999999995 110.851 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.8 0.333 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . 136.43 -143.72 15.22 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.678 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' P' P ' 229' ' ' LEU . . . . . 0.87 HD11 ' CA ' ' W' ' 556' ' ' THR . 9.4 tp 67.29 66.61 0.63 Allowed Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 120.633 0.254 . . . . 0.0 111.043 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' P' P ' 230' ' ' PRO . . . . . 0.456 ' HB2' ' CB ' ' P' ' 235' ' ' ALA . 52.3 Cg_exo -51.99 125.81 18.32 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.352 2.035 . . . . 0.0 111.636 179.583 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.6 149.2 35.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.096 0.474 . . . . 0.0 111.158 -179.609 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' P' P ' 232' ' ' TYR . . . . . 0.566 ' CG ' HG23 ' W' ' 548' ' ' ILE . 1.1 t80 -69.79 77.28 0.46 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -175.69 -38.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.944 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -117.54 23.15 11.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.07 -179.897 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' P' P ' 235' ' ' ALA . . . . . 0.456 ' CB ' ' HB2' ' P' ' 230' ' ' PRO . . . -144.84 51.95 1.23 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.913 0.387 . . . . 0.0 111.117 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -157.24 105.11 2.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.804 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 15.4 m170 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 99.989999999999995 110.948 -179.992 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' W' W ' 521' ' ' GLY . . . . . 0.624 ' N ' ' HD2' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.473 0 N-CA-C 110.114 -1.194 . . . . 99.989999999999995 110.114 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' W' W ' 522' ' ' PRO . . . . . 0.624 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 55.8 Cg_endo -70.4 102.02 1.08 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.602 2.201 . . . . 0.0 112.282 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 53.35 54.16 10.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.916 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . 154.74 138.28 2.57 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.565 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 4.2 m -127.68 46.38 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.779 0.323 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -149.44 -162.53 10.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.507 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.38 -45.8 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -129.78 79.88 1.93 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' W' W ' 529' ' ' GLU . . . . . 0.422 ' HB3' ' HB2' ' W' ' 561' ' ' ARG . 42.4 tp10 -67.52 124.33 88.92 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.689 179.898 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.17 67.38 2.6 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.519 2.146 . . . . 0.0 112.493 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' W' W ' 531' ' ' LEU . . . . . 0.717 HD13 ' HA ' ' W' ' 536' ' ' SER . 3.0 mt 62.14 125.95 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.565 179.867 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' W' W ' 532' ' ' PRO . . . . . 0.471 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 72.0 Cg_exo -50.18 -174.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.574 2.183 . . . . 0.0 113.296 -179.39 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' W' W ' 533' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 29.4 Cg_exo -64.91 -18.1 61.32 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.359 2.706 . . . . 0.0 115.131 -178.211 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' W' W ' 534' ' ' ARG . . . . . 0.434 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 82.6 mmt-85 -139.21 46.82 1.92 Allowed 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 120.43 -0.508 . . . . 0.0 112.018 -178.391 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' W' W ' 535' ' ' TRP . . . . . 0.544 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 45.0 m95 -142.88 168.54 19.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.171 0.51 . . . . 0.0 112.141 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' W' W ' 536' ' ' SER . . . . . 0.717 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.3 OUTLIER -147.52 -163.01 1.66 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.548 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' W' W ' 537' ' ' MET . . . . . 0.455 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 26.9 mtm -137.84 145.23 42.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.079 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' W' W ' 538' ' ' GLN . . . . . 0.44 ' O ' ' CD1' ' W' ' 546' ' ' PHE . 6.4 tp60 -165.33 128.39 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.747 179.799 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' W' W ' 539' ' ' VAL . . . . . 0.694 HG22 ' CG2' ' W' ' 545' ' ' THR . 42.6 t -80.54 125.03 39.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.845 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' W' W ' 540' ' ' ALA . . . . . 0.834 ' HB2' ' CD1' ' W' ' 546' ' ' PHE . . . -92.44 141.53 24.9 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.15 -179.714 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.73 -22.58 45.26 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.552 2.168 . . . . 0.0 111.702 179.678 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -51.79 -42.95 62.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.617 179.628 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 141.48 -13.39 2.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.593 -0.813 . . . . 0.0 113.059 179.744 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' W' W ' 544' ' ' ARG . . . . . 0.506 ' HG2' ' CE3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.15 149.97 52.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.942 0.401 . . . . 0.0 111.506 -179.87 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' W' W ' 545' ' ' THR . . . . . 0.694 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.3 OUTLIER -72.73 146.31 46.52 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.55 179.478 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' W' W ' 546' ' ' PHE . . . . . 0.834 ' CD1' ' HB2' ' W' ' 540' ' ' ALA . 11.7 p90 -121.96 151.29 40.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.905 179.848 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' W' W ' 547' ' ' PHE . . . . . 0.535 ' CZ ' HD22 ' W' ' 531' ' ' LEU . 0.7 OUTLIER -99.78 125.33 45.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.278 0.561 . . . . 0.0 111.489 -179.571 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' W' W ' 548' ' ' ILE . . . . . 0.561 HG23 ' CG ' ' P' ' 232' ' ' TYR . 2.8 mp -84.55 145.3 8.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.663 179.614 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' W' W ' 549' ' ' ASP . . . . . 0.495 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 28.0 t70 -122.95 115.36 21.8 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.072 -179.602 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' W' W ' 550' ' ' HIS . . . . . 0.418 ' CD2' ' N ' ' W' ' 550' ' ' HIS . 6.4 m170 -82.66 -27.69 31.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.736 179.776 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -52.43 -37.24 56.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.564 179.729 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.03 0.45 6.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.449 179.722 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' W' W ' 553' ' ' ARG . . . . . 0.452 ' HA ' ' CD2' ' P' ' 232' ' ' TYR . 3.1 mmt85 61.94 65.16 0.93 Allowed 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.631 0.253 . . . . 0.0 111.079 179.868 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' W' W ' 554' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' P' ' 232' ' ' TYR . 51.0 mtp85 -153.87 -166.98 2.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.817 0.342 . . . . 0.0 111.352 -179.915 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' W' W ' 555' ' ' THR . . . . . 0.472 HG23 ' N ' ' P' ' 232' ' ' TYR . 77.3 p -142.84 177.31 8.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.24 -179.756 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -170.22 164.52 9.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.377 179.889 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' W' W ' 557' ' ' TRP . . . . . 0.506 ' CE3' ' HG2' ' W' ' 544' ' ' ARG . 22.0 m95 -89.62 18.75 5.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.464 179.803 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' W' W ' 558' ' ' ILE . . . . . 0.401 HG23 ' N ' ' W' ' 564' ' ' ARG . 5.7 mm -132.79 152.12 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.12 0.486 . . . . 0.0 112.104 -179.002 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' W' W ' 559' ' ' ASP . . . . . 0.471 ' OD2' ' CE1' ' W' ' 547' ' ' PHE . 0.5 OUTLIER -100.68 110.3 60.14 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.468 179.845 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' W' W ' 560' ' ' PRO . . . . . 0.544 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 2.4 Cg_endo -51.63 -29.86 34.37 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.089 1.859 . . . . 0.0 112.418 -179.415 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' W' W ' 561' ' ' ARG . . . . . 0.422 ' HB2' ' HB3' ' W' ' 529' ' ' GLU . 0.4 OUTLIER -68.12 -18.89 64.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.109 179.813 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -130.34 -66.13 0.78 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.843 0.354 . . . . 0.0 110.811 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' W' W ' 563' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' W' ' 559' ' ' ASP . . . 114.26 34.5 1.61 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.375 -179.84 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' W' W ' 564' ' ' ARG . . . . . 0.401 ' N ' HG23 ' W' ' 558' ' ' ILE . 0.4 OUTLIER -133.84 166.38 22.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.958 0.409 . . . . 0.0 111.07 -179.784 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' W' W ' 565' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' W' ' 557' ' ' TRP . . . -53.58 105.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.959 179.861 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 41.7 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 99.989999999999995 110.897 -179.936 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.859 0.362 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . 95.98 28.7 9.11 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.695 179.847 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' P' P ' 229' ' ' LEU . . . . . 0.49 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 1.8 tp -90.81 108.85 30.63 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.461 0.172 . . . . 0.0 110.679 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -68.59 102.67 0.87 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.587 2.191 . . . . 0.0 111.972 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 14.8 m -53.15 161.38 0.87 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' P' P ' 232' ' ' TYR . . . . . 0.642 ' CE1' HD13 ' P' ' 236' ' ' LEU . 1.1 t80 -78.77 78.86 5.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.823 -179.936 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 15.6 t0 176.97 -37.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.082 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -109.34 20.62 18.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.989 179.567 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -141.98 33.62 1.56 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.077 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' P' P ' 236' ' ' LEU . . . . . 0.642 HD13 ' CE1' ' P' ' 232' ' ' TYR . 0.2 OUTLIER -129.25 64.14 1.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.748 179.932 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 99.989999999999995 110.866 -179.877 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' W' W ' 521' ' ' GLY . . . . . 0.48 ' N ' ' CD ' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.47 0 N-CA-C 110.082 -1.207 . . . . 99.989999999999995 110.082 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' W' W ' 522' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' W' ' 521' ' ' GLY . 45.7 Cg_exo -56.01 -172.58 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.676 2.251 . . . . 0.0 112.213 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' W' W ' 523' ' ' LEU . . . . . 0.483 HD22 ' HA ' ' W' ' 523' ' ' LEU . 0.3 OUTLIER -64.01 -24.67 67.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.954 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . 72.07 147.79 0.69 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.582 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.29 -170.97 3.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.774 0.321 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -93.18 177.02 37.78 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.572 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.06 38.89 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.359 . . . . 0.0 110.916 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.41 159.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 179.897 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' W' W ' 529' ' ' GLU . . . . . 0.448 ' HB3' ' NE ' ' W' ' 561' ' ' ARG . 5.8 tt0 -104.01 129.59 24.94 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.793 179.859 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.05 121.63 10.25 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.527 2.151 . . . . 0.0 112.52 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' W' W ' 531' ' ' LEU . . . . . 0.847 HD13 ' HA ' ' W' ' 536' ' ' SER . 0.3 OUTLIER -59.76 142.84 87.81 Favored Pre-proline 0 C--N 1.33 -0.241 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.303 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' W' W ' 532' ' ' PRO . . . . . 0.48 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 75.8 Cg_exo -49.85 -173.25 0.0 OUTLIER 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.558 2.172 . . . . 0.0 113.286 -179.155 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' W' W ' 533' ' ' PRO . . . . . 0.48 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 27.0 Cg_exo -64.29 -18.88 64.83 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.172 2.581 . . . . 0.0 115.251 -178.029 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' W' W ' 534' ' ' ARG . . . . . 0.433 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 26.0 mmt180 -140.29 51.44 1.68 Allowed 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 120.401 -0.52 . . . . 0.0 111.534 -178.75 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' W' W ' 535' ' ' TRP . . . . . 0.522 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 54.6 m95 -145.37 168.52 20.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.42 0.628 . . . . 0.0 112.49 -179.873 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' W' W ' 536' ' ' SER . . . . . 0.847 ' HA ' HD13 ' W' ' 531' ' ' LEU . 2.0 m -153.24 -171.81 4.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.795 179.746 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' W' W ' 537' ' ' MET . . . . . 0.672 ' HG3' HD21 ' W' ' 531' ' ' LEU . 0.0 OUTLIER -150.09 141.48 23.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.097 0.475 . . . . 0.0 111.617 -179.935 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' W' W ' 538' ' ' GLN . . . . . 0.471 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 0.3 OUTLIER -168.08 141.45 3.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.34 179.816 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' W' W ' 539' ' ' VAL . . . . . 0.847 HG22 ' CG2' ' W' ' 545' ' ' THR . 20.7 t -72.37 131.45 34.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.369 . . . . 0.0 111.125 -179.738 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' W' W ' 540' ' ' ALA . . . . . 0.757 ' HB2' ' CD1' ' W' ' 546' ' ' PHE . . . -90.74 166.52 18.92 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.137 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' W' W ' 541' ' ' PRO . . . . . 0.716 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 57.5 Cg_endo -71.03 -23.17 25.35 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.5 2.133 . . . . 0.0 112.047 179.837 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' W' W ' 542' ' ' ASN . . . . . 0.427 ' ND2' ' HD3' ' W' ' 544' ' ' ARG . 25.9 t30 -55.4 -41.23 72.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.863 179.899 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 138.51 -14.19 3.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.533 -0.842 . . . . 0.0 112.993 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' W' W ' 544' ' ' ARG . . . . . 0.534 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -126.38 157.97 37.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.965 0.412 . . . . 0.0 111.384 -179.87 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' W' W ' 545' ' ' THR . . . . . 0.847 ' CG2' HG22 ' W' ' 539' ' ' VAL . 1.0 OUTLIER -80.51 146.87 31.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.309 -179.828 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' W' W ' 546' ' ' PHE . . . . . 0.757 ' CD1' ' HB2' ' W' ' 540' ' ' ALA . 11.0 p90 -124.35 -174.58 3.04 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.232 -179.865 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' W' W ' 547' ' ' PHE . . . . . 0.814 ' CE2' HD23 ' W' ' 531' ' ' LEU . 1.1 m-85 -123.67 119.43 29.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.9 179.353 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' W' W ' 548' ' ' ILE . . . . . 0.438 ' CG2' ' CD2' ' P' ' 232' ' ' TYR . 2.4 mp -80.62 125.97 39.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.214 0.53 . . . . 0.0 111.302 -179.169 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' W' W ' 549' ' ' ASP . . . . . 0.471 ' OD2' ' CH2' ' W' ' 535' ' ' TRP . 0.2 OUTLIER -93.24 125.52 37.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.334 179.77 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -95.69 -34.79 11.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 111.292 -179.587 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -50.07 -39.34 41.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.181 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.99 3.23 7.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.744 179.896 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 34.1 mtt180 61.13 72.51 0.52 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.914 0.388 . . . . 0.0 110.871 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 45.7 mtt-85 -149.34 -164.07 1.94 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' W' W ' 555' ' ' THR . . . . . 0.834 ' O ' HD11 ' P' ' 229' ' ' LEU . 46.5 p -150.9 140.23 21.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.456 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' W' W ' 556' ' ' THR . . . . . 0.516 ' HA ' HD11 ' P' ' 229' ' ' LEU . 15.4 t -133.6 162.79 30.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.983 179.488 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' W' W ' 557' ' ' TRP . . . . . 0.534 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 13.0 m95 -85.51 -39.85 17.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.871 -179.256 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 4.2 mm -86.75 124.81 40.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.558 -178.955 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' W' W ' 559' ' ' ASP . . . . . 0.429 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 0.7 OUTLIER -68.02 144.63 97.22 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.171 -179.663 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' W' W ' 560' ' ' PRO . . . . . 0.522 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 36.8 Cg_endo -85.08 -22.71 2.68 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.67 2.247 . . . . 0.0 112.403 179.777 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' W' W ' 561' ' ' ARG . . . . . 0.448 ' NE ' ' HB3' ' W' ' 529' ' ' GLU . 0.5 OUTLIER -54.39 -28.84 46.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.963 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -144.78 -43.54 0.24 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.849 -179.871 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 114.17 35.3 1.5 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.512 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -124.22 144.78 49.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.788 0.328 . . . . 0.0 110.856 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -59.22 118.27 5.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.273 -179.872 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' W' W ' 566' ' ' SER . . . . . 0.404 ' HB3' ' O ' ' W' ' 545' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 99.989999999999995 110.903 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 4.7 t . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.781 0.324 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . -149.48 -85.27 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.605 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' P' P ' 229' ' ' LEU . . . . . 0.834 HD11 ' O ' ' W' ' 555' ' ' THR . 0.2 OUTLIER 53.84 96.69 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 120.612 0.244 . . . . 0.0 110.739 -179.862 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.07 -146.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.492 2.128 . . . . 0.0 111.391 179.437 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 4.9 t -157.99 51.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 0.0 110.861 179.71 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' P' P ' 232' ' ' TYR . . . . . 0.819 ' CE1' HD13 ' P' ' 236' ' ' LEU . 0.3 OUTLIER 55.51 62.02 2.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.596 179.913 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.42 -42.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -104.22 52.98 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -170.96 -50.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' P' P ' 236' ' ' LEU . . . . . 0.819 HD13 ' CE1' ' P' ' 232' ' ' TYR . 0.1 OUTLIER -65.92 97.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.853 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 99.989999999999995 110.911 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' W' W ' 521' ' ' GLY . . . . . 0.676 ' N ' ' HD2' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.476 0 N-CA-C 110.086 -1.205 . . . . 99.989999999999995 110.086 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' W' W ' 522' ' ' PRO . . . . . 0.676 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 28.3 Cg_endo -62.73 -20.11 70.14 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.65 2.233 . . . . 0.0 112.332 179.907 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 2.9 mt -95.15 29.12 2.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.905 0.383 . . . . 0.0 110.956 -179.849 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . 66.54 73.91 0.59 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.44 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 8.5 t -111.44 -173.9 2.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.89 0.376 . . . . 0.0 110.809 -179.896 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -129.52 -93.79 0.71 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.495 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -131.64 84.83 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.357 . . . . 0.0 110.816 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -164.6 101.69 0.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.978 -179.912 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' W' W ' 529' ' ' GLU . . . . . 0.429 ' O ' ' CZ ' ' W' ' 561' ' ' ARG . 0.9 OUTLIER -55.16 113.17 5.03 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.86 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -50.01 127.09 18.48 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.486 2.124 . . . . 0.0 112.89 -179.757 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' W' W ' 531' ' ' LEU . . . . . 0.851 HD23 ' CE2' ' W' ' 547' ' ' PHE . 0.6 OUTLIER -49.83 137.28 19.11 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.456 179.493 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' W' W ' 532' ' ' PRO . . . . . 0.467 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 80.2 Cg_exo -48.17 179.39 0.01 OUTLIER 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.65 2.233 . . . . 0.0 113.031 -179.41 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' W' W ' 533' ' ' PRO . . . . . 0.467 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 59.4 Cg_exo -43.09 -52.43 4.82 Favored 'Trans proline' 0 CA--C 1.515 -0.43 0 C-N-CA 123.515 2.81 . . . . 0.0 115.177 -178.665 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' W' W ' 534' ' ' ARG . . . . . 0.473 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 21.0 mmt85 -120.77 68.63 0.87 Allowed 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.73 -178.179 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' W' W ' 535' ' ' TRP . . . . . 0.587 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 79.6 m95 -153.47 156.09 37.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.168 0.508 . . . . 0.0 112.26 179.76 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' W' W ' 536' ' ' SER . . . . . 0.717 ' CA ' HD22 ' W' ' 531' ' ' LEU . 1.5 m -143.82 -172.05 3.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.206 179.678 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' W' W ' 537' ' ' MET . . . . . 0.407 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 0.1 OUTLIER -145.7 128.53 16.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.979 0.419 . . . . 0.0 111.338 -179.942 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' W' W ' 538' ' ' GLN . . . . . 0.653 ' HB2' HD11 ' W' ' 548' ' ' ILE . 1.9 mt-30 -145.58 144.93 30.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.605 179.677 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' W' W ' 539' ' ' VAL . . . . . 0.957 HG22 ' CG2' ' W' ' 545' ' ' THR . 9.5 t -84.2 129.11 38.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.046 -179.818 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' W' W ' 540' ' ' ALA . . . . . 0.821 ' HB1' ' HD2' ' W' ' 541' ' ' PRO . . . -94.98 169.66 9.11 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' W' W ' 541' ' ' PRO . . . . . 0.821 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 55.6 Cg_endo -69.82 -23.78 30.12 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.475 2.117 . . . . 0.0 112.055 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -53.4 -33.01 52.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.835 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 123.98 -8.61 8.6 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.649 -0.786 . . . . 0.0 113.093 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' W' W ' 544' ' ' ARG . . . . . 0.529 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -128.49 156.67 42.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 117.023 0.411 . . . . 0.0 111.415 -179.874 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' W' W ' 545' ' ' THR . . . . . 0.957 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.6 OUTLIER -85.1 146.91 26.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.222 -179.917 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' W' W ' 546' ' ' PHE . . . . . 0.741 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 3.4 p90 -120.95 -174.85 2.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 179.837 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' W' W ' 547' ' ' PHE . . . . . 0.851 ' CE2' HD23 ' W' ' 531' ' ' LEU . 1.0 OUTLIER -123.11 118.34 27.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.003 0.43 . . . . 0.0 110.353 179.731 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' W' W ' 548' ' ' ILE . . . . . 0.653 HD11 ' HB2' ' W' ' 538' ' ' GLN . 2.7 mp -79.52 137.48 21.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.795 -179.732 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' W' W ' 549' ' ' ASP . . . . . 0.482 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 55.2 t0 -110.17 105.97 15.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.047 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' W' W ' 550' ' ' HIS . . . . . 0.407 ' HB2' ' HB3' ' W' ' 534' ' ' ARG . 19.4 m-70 -76.41 -21.72 55.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -59.43 -46.02 89.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.89 0.376 . . . . 0.0 111.059 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.6 19.24 6.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.221 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 49.47 64.28 1.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 111.06 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -135.65 -167.5 2.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.669 179.729 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' W' W ' 555' ' ' THR . . . . . 0.803 ' O ' HD21 ' P' ' 229' ' ' LEU . 63.7 p -151.74 155.06 37.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.248 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' W' W ' 556' ' ' THR . . . . . 0.614 ' CA ' HD11 ' P' ' 229' ' ' LEU . 10.6 t -148.91 159.16 44.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.013 0.435 . . . . 0.0 111.184 -179.917 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' W' W ' 557' ' ' TRP . . . . . 0.529 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 22.9 m95 -87.45 -22.06 25.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.214 -179.929 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' W' W ' 558' ' ' ILE . . . . . 0.764 HG23 ' N ' ' W' ' 565' ' ' ALA . 31.5 mt -107.22 125.57 63.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.135 0.493 . . . . 0.0 111.919 -178.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' W' W ' 559' ' ' ASP . . . . . 0.493 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 4.7 p30 -57.3 138.45 80.7 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.053 -179.848 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' W' W ' 560' ' ' PRO . . . . . 0.587 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 81.3 Cg_endo -90.98 19.65 1.09 Allowed 'Trans proline' 0 N--CA 1.455 -0.755 0 C-N-CA 123.012 2.475 . . . . 0.0 111.903 179.321 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' W' W ' 561' ' ' ARG . . . . . 0.429 ' CZ ' ' O ' ' W' ' 529' ' ' GLU . 0.0 OUTLIER -107.07 7.71 29.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.441 -179.604 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -175.41 -49.53 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.719 0.295 . . . . 0.0 110.718 179.774 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 106.78 65.17 0.62 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.618 179.859 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -161.34 73.73 0.45 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.59 0.233 . . . . 0.0 110.636 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' W' W ' 565' ' ' ALA . . . . . 0.764 ' N ' HG23 ' W' ' 558' ' ' ILE . . . 46.85 -155.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.766 -179.821 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 96.7 p . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 120.423 0.154 . . . . 99.989999999999995 110.916 179.877 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.808 0.337 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . 150.9 -148.13 18.93 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' P' P ' 229' ' ' LEU . . . . . 0.803 HD21 ' O ' ' W' ' 555' ' ' THR . 4.4 tp 68.32 70.61 0.42 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.695 0.283 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' P' P ' 230' ' ' PRO . . . . . 0.406 ' O ' HG21 ' W' ' 555' ' ' THR . 53.2 Cg_exo -54.94 104.93 0.13 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.543 2.162 . . . . 0.0 112.074 179.88 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 32.8 m -48.51 166.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' P' P ' 232' ' ' TYR . . . . . 0.531 ' CD2' ' CG2' ' W' ' 548' ' ' ILE . 1.3 t80 -61.11 89.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -178.05 -39.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.678 179.926 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -97.19 -34.93 10.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 179.838 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -80.75 59.37 3.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.99 179.92 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 4.0 mp -129.1 -52.41 1.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.795 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 11.5 p80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 99.989999999999995 110.859 179.905 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' W' W ' 521' ' ' GLY . . . . . 0.476 ' N ' ' CD ' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.479 0 N-CA-C 110.106 -1.198 . . . . 99.989999999999995 110.106 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' W' W ' 522' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' W' ' 521' ' ' GLY . 52.2 Cg_exo -53.23 -47.95 24.72 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.607 2.204 . . . . 0.0 112.34 -179.886 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 2.4 tt -163.5 120.57 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . 169.96 -63.31 0.18 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.537 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.92 -49.23 5.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . 96.89 -92.7 1.38 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.405 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.72 34.26 3.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.775 0.321 . . . . 0.0 110.83 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -125.26 81.11 1.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' W' W ' 529' ' ' GLU . . . . . 0.4 ' HB3' ' HD3' ' W' ' 561' ' ' ARG . 1.5 tp10 -67.19 145.45 98.69 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.867 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -59.92 139.96 90.6 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.514 2.143 . . . . 0.0 112.45 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' W' W ' 531' ' ' LEU . . . . . 0.446 ' CD1' ' HA ' ' W' ' 536' ' ' SER . 1.3 mt -79.41 135.89 56.85 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.676 179.156 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' W' W ' 532' ' ' PRO . . . . . 0.462 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 56.4 Cg_exo -50.85 -174.81 0.01 OUTLIER 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 122.267 1.978 . . . . 0.0 113.244 -178.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' W' W ' 533' ' ' PRO . . . . . 0.462 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 19.8 Cg_exo -69.73 -10.18 27.95 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.407 2.738 . . . . 0.0 115.168 -177.922 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' W' W ' 534' ' ' ARG . . . . . 0.437 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 22.8 mmt85 -143.57 43.07 1.5 Allowed 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 120.359 -0.536 . . . . 0.0 111.66 -178.883 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' W' W ' 535' ' ' TRP . . . . . 0.531 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 38.3 m95 -141.55 168.01 20.79 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.41 0.624 . . . . 0.0 112.466 -179.934 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' W' W ' 536' ' ' SER . . . . . 0.446 ' HA ' ' CD1' ' W' ' 531' ' ' LEU . 0.1 OUTLIER -147.39 -158.14 0.88 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.429 -179.835 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' W' W ' 537' ' ' MET . . . . . . . . . . . . . 26.8 mtp -144.4 144.69 31.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.755 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' W' W ' 538' ' ' GLN . . . . . 0.471 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 2.2 tp-100 -168.2 129.73 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.979 -179.888 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' W' W ' 539' ' ' VAL . . . . . 0.749 HG22 ' CG2' ' W' ' 545' ' ' THR . 4.7 t -79.48 136.51 23.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.802 179.728 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' W' W ' 540' ' ' ALA . . . . . 0.861 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -107.6 156.75 37.35 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.33 -179.696 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -62.85 -24.45 74.36 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.613 2.208 . . . . 0.0 111.402 179.385 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -47.82 -42.02 25.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.759 179.728 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 134.47 -12.06 4.62 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.668 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' W' W ' 544' ' ' ARG . . . . . 0.506 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.24 155.81 46.47 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.91 0.386 . . . . 0.0 111.108 -179.935 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' W' W ' 545' ' ' THR . . . . . 0.749 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.5 OUTLIER -80.47 145.33 31.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.05 179.276 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' W' W ' 546' ' ' PHE . . . . . 0.861 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 7.4 p90 -117.22 -179.56 3.75 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.014 0.435 . . . . 0.0 111.201 -179.666 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' W' W ' 547' ' ' PHE . . . . . 0.505 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.6 OUTLIER -123.89 126.47 46.43 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.169 -179.784 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' W' W ' 548' ' ' ILE . . . . . 0.56 HG23 ' CG ' ' P' ' 232' ' ' TYR . 2.7 mp -86.71 149.25 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.359 179.663 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -128.64 117.41 21.16 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.013 -179.496 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -81.91 -26.07 34.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.788 179.864 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -50.05 -43.12 50.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.734 179.583 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.72 1.19 8.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.306 179.583 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' W' W ' 553' ' ' ARG . . . . . 0.462 ' HA ' ' CD2' ' P' ' 232' ' ' TYR . 59.7 mmt-85 63.11 62.77 0.98 Allowed 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.733 0.301 . . . . 0.0 110.977 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' W' W ' 554' ' ' ARG . . . . . 0.433 ' CZ ' ' HB3' ' W' ' 554' ' ' ARG . 5.4 mtp-105 -149.24 -166.53 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.967 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' W' W ' 555' ' ' THR . . . . . 0.539 HG22 HG13 ' W' ' 548' ' ' ILE . 60.3 p -143.92 179.67 7.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 179.791 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -171.15 166.04 7.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.117 179.861 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' W' W ' 557' ' ' TRP . . . . . 0.506 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 19.1 m95 -89.6 15.37 9.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.452 179.832 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' W' W ' 558' ' ' ILE . . . . . 0.487 HG23 ' N ' ' W' ' 564' ' ' ARG . 5.5 mm -129.05 149.07 33.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.099 0.476 . . . . 0.0 111.754 -179.022 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' W' W ' 559' ' ' ASP . . . . . 0.454 ' HA ' ' HD2' ' W' ' 560' ' ' PRO . 2.2 m-20 -102.94 110.81 64.28 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.104 -179.688 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' W' W ' 560' ' ' PRO . . . . . 0.531 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 1.9 Cg_endo -47.5 -37.33 25.9 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 121.999 1.8 . . . . 0.0 111.184 179.43 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' W' W ' 561' ' ' ARG . . . . . 0.419 ' HG3' ' HB3' ' W' ' 559' ' ' ASP . 0.0 OUTLIER -49.39 -29.83 6.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.833 179.539 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -129.73 -60.14 1.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.934 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' W' W ' 563' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' W' ' 559' ' ' ASP . . . 112.3 36.2 1.66 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.347 -179.865 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' W' W ' 564' ' ' ARG . . . . . 0.487 ' N ' HG23 ' W' ' 558' ' ' ILE . 5.2 mtp85 -137.19 172.79 12.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.996 -179.794 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' W' W ' 565' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' W' ' 557' ' ' TRP . . . -66.66 120.03 12.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.501 -179.686 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' W' W ' 566' ' ' SER . . . . . 0.408 ' HB2' ' OD1' ' W' ' 559' ' ' ASP . 1.5 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.514 . . . . 99.989999999999995 110.734 179.762 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 55.2 p . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.643 0.258 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . -139.07 50.58 0.79 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.483 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' P' P ' 229' ' ' LEU . . . . . 0.476 ' HB2' ' CZ2' ' W' ' 557' ' ' TRP . 0.8 OUTLIER -112.01 92.14 17.39 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.716 0.293 . . . . 0.0 111.175 -179.908 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' P' P ' 230' ' ' PRO . . . . . 0.594 ' CB ' ' HB2' ' P' ' 235' ' ' ALA . 52.0 Cg_exo -52.54 103.69 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.583 2.189 . . . . 0.0 111.973 179.667 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 9.7 t -53.33 147.79 9.83 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.159 0.504 . . . . 0.0 111.083 -179.656 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' P' P ' 232' ' ' TYR . . . . . 0.625 ' HE1' HD22 ' P' ' 236' ' ' LEU . 1.1 t80 -60.85 84.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -177.5 -41.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.049 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -102.88 -29.8 11.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.035 -179.916 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' P' P ' 235' ' ' ALA . . . . . 0.594 ' HB2' ' CB ' ' P' ' 230' ' ' PRO . . . -90.59 53.94 2.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.061 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' P' P ' 236' ' ' LEU . . . . . 0.625 HD22 ' HE1' ' P' ' 232' ' ' TYR . 0.1 OUTLIER -152.01 78.92 1.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.831 -179.956 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 99.989999999999995 110.931 -179.993 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' W' W ' 521' ' ' GLY . . . . . 0.481 ' N ' ' CD ' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 110.096 -1.202 . . . . 99.989999999999995 110.096 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' W' W ' 522' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' W' ' 521' ' ' GLY . 51.5 Cg_exo -52.9 -32.2 55.97 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.602 2.202 . . . . 0.0 112.226 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.73 27.04 9.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 -179.919 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -145.73 60.75 0.48 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.526 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.46 -53.0 2.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.865 0.364 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -156.47 -76.4 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.578 -179.898 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 56.65 68.62 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.823 0.344 . . . . 0.0 110.749 -179.852 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 63.58 138.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.857 180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' W' W ' 529' ' ' GLU . . . . . 0.447 ' HB3' ' NH1' ' W' ' 561' ' ' ARG . 14.5 tt0 -85.88 124.81 70.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -60.34 160.88 21.81 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.271 1.981 . . . . 0.0 112.483 -179.916 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' W' W ' 531' ' ' LEU . . . . . 0.941 HD21 ' HG3' ' W' ' 537' ' ' MET . 0.2 OUTLIER -75.04 146.43 82.35 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.206 179.673 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' W' W ' 532' ' ' PRO . . . . . 0.48 ' HG2' ' HG2' ' W' ' 560' ' ' PRO . 76.2 Cg_exo -49.08 -174.09 0.0 OUTLIER 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.625 2.217 . . . . 0.0 113.371 -179.271 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' W' W ' 533' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 24.8 Cg_exo -64.79 -12.39 33.85 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.303 2.669 . . . . 0.0 115.424 -177.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' W' W ' 534' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -145.79 43.76 1.26 Allowed 'General case' 0 C--N 1.312 -1.04 0 C-N-CA 120.17 -0.612 . . . . 0.0 111.845 -178.866 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' W' W ' 535' ' ' TRP . . . . . 0.532 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 47.9 m95 -137.97 168.93 18.7 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -179.87 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' W' W ' 536' ' ' SER . . . . . 0.889 ' CA ' HD22 ' W' ' 531' ' ' LEU . 0.6 OUTLIER -159.2 -167.68 2.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.497 -179.961 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' W' W ' 537' ' ' MET . . . . . 0.941 ' HG3' HD21 ' W' ' 531' ' ' LEU . 17.5 mtp -129.02 152.94 48.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.001 -179.881 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' W' W ' 538' ' ' GLN . . . . . 0.74 ' CB ' HD11 ' W' ' 548' ' ' ILE . 4.3 tp-100 -168.45 129.81 1.32 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.038 179.844 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' W' W ' 539' ' ' VAL . . . . . 0.439 HG13 ' O ' ' W' ' 539' ' ' VAL . 13.7 p -84.7 125.72 40.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.667 179.735 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' W' W ' 540' ' ' ALA . . . . . 0.831 ' HB1' ' HD2' ' W' ' 541' ' ' PRO . . . -98.17 169.79 7.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.454 -179.489 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' W' W ' 541' ' ' PRO . . . . . 0.831 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 56.5 Cg_endo -70.85 -23.52 25.75 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.546 2.164 . . . . 0.0 111.855 179.719 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -50.25 -32.63 17.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.697 179.684 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 123.98 -10.21 8.39 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.858 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' W' W ' 544' ' ' ARG . . . . . 0.529 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 2.2 ptp180 -131.35 158.28 41.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.048 0.452 . . . . 0.0 111.374 -179.804 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' W' W ' 545' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' W' ' 539' ' ' VAL . 0.3 OUTLIER -83.29 146.57 28.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.618 179.581 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' W' W ' 546' ' ' PHE . . . . . 0.791 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 5.8 p90 -118.59 -176.07 3.01 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.179 -179.66 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' W' W ' 547' ' ' PHE . . . . . 0.495 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.8 OUTLIER -120.88 118.36 29.73 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.294 0.568 . . . . 0.0 110.892 179.785 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' W' W ' 548' ' ' ILE . . . . . 0.74 HD11 ' CB ' ' W' ' 538' ' ' GLN . 3.3 mt -82.4 143.32 12.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.653 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -122.09 116.93 25.12 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.612 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -81.82 -26.41 34.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.186 -179.764 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -57.54 -38.36 74.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.881 179.837 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.67 -13.22 9.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.532 -179.903 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.98 43.1 0.33 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.833 0.349 . . . . 0.0 110.711 -179.75 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -131.56 -166.16 1.68 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 -179.836 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' W' W ' 555' ' ' THR . . . . . 0.425 HG22 ' HA ' ' W' ' 548' ' ' ILE . 38.8 p -142.22 176.2 9.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.275 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' W' W ' 556' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' W' ' 546' ' ' PHE . 10.0 t -167.29 167.27 14.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.369 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' W' W ' 557' ' ' TRP . . . . . 0.529 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 11.6 m95 -96.53 11.8 33.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.022 -179.63 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' W' W ' 558' ' ' ILE . . . . . 0.403 HG22 ' N ' ' W' ' 559' ' ' ASP . 6.5 mm -128.61 154.44 39.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.922 0.391 . . . . 0.0 111.774 -179.272 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' W' W ' 559' ' ' ASP . . . . . 0.412 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 1.2 p30 -99.8 114.19 65.5 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.943 -179.867 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' W' W ' 560' ' ' PRO . . . . . 0.532 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 9.4 Cg_endo -55.87 -19.21 24.51 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.368 2.045 . . . . 0.0 112.507 -179.856 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' W' W ' 561' ' ' ARG . . . . . 0.447 ' NH1' ' HB3' ' W' ' 529' ' ' GLU . 0.1 OUTLIER -57.01 -59.39 5.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.994 0.426 . . . . 0.0 110.296 179.746 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -112.94 -40.92 3.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.699 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 108.61 39.41 1.76 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.858 -0.686 . . . . 0.0 112.419 -179.89 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.49 166.24 15.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.801 0.334 . . . . 0.0 110.927 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.7 104.45 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.236 -179.825 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 83.7 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 99.989999999999995 111.148 179.903 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 40.0 p . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.854 0.359 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . 60.16 17.69 46.21 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.796 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' P' P ' 229' ' ' LEU . . . . . 0.488 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 9.1 tp -101.72 110.4 61.89 Favored Pre-proline 0 C--N 1.329 -0.31 0 O-C-N 122.828 -0.219 . . . . 0.0 110.804 179.927 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' P' P ' 230' ' ' PRO . . . . . 0.579 ' HB2' ' HB2' ' P' ' 235' ' ' ALA . 44.0 Cg_exo -57.11 -154.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.38 2.054 . . . . 0.0 111.978 179.796 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 1.6 m -159.3 56.43 0.4 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.187 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' P' P ' 232' ' ' TYR . . . . . . . . . . . . . 1.9 t80 69.82 -67.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.015 179.519 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -49.53 -58.13 5.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.145 -179.834 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -76.6 -30.89 57.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 -179.757 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' P' P ' 235' ' ' ALA . . . . . 0.579 ' HB2' ' HB2' ' P' ' 230' ' ' PRO . . . -58.95 -54.26 49.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.245 -179.788 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 18.5 mt -66.52 -23.77 66.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.12 -179.862 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.414 -0.357 . . . . 99.989999999999995 110.908 -179.902 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' W' W ' 521' ' ' GLY . . . . . 0.578 ' N ' ' HD2' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.451 0 N-CA-C 110.078 -1.209 . . . . 99.989999999999995 110.078 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' W' W ' 522' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 67.8 Cg_endo -73.95 168.42 24.83 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.688 2.259 . . . . 0.0 112.376 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 4.9 mp -93.35 60.31 3.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.898 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -67.84 -146.07 0.12 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.567 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.88 156.79 42.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.813 0.339 . . . . 0.0 110.983 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . 151.95 110.41 0.46 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.442 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 63.49 33.26 13.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.354 . . . . 0.0 110.72 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.7 74.87 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.004 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' W' W ' 529' ' ' GLU . . . . . 0.435 ' HB3' ' HB2' ' W' ' 561' ' ' ARG . 7.5 tp10 -66.44 142.11 97.53 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.704 179.903 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.0 126.85 15.85 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.631 2.22 . . . . 0.0 112.525 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' W' W ' 531' ' ' LEU . . . . . 0.927 HD13 ' HA ' ' W' ' 536' ' ' SER . 0.0 OUTLIER -37.86 136.68 0.75 Allowed Pre-proline 0 N--CA 1.473 0.724 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.574 -179.93 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' W' W ' 532' ' ' PRO . . . . . 0.478 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 72.6 Cg_exo -50.85 -173.55 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.584 2.189 . . . . 0.0 113.312 -179.574 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' W' W ' 533' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 17.3 Cg_exo -71.28 -9.08 24.73 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.571 2.848 . . . . 0.0 114.974 -178.177 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' W' W ' 534' ' ' ARG . . . . . 0.443 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 19.2 mmt85 -142.1 38.9 1.6 Allowed 'General case' 0 C--N 1.313 -0.98 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.903 -178.829 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' W' W ' 535' ' ' TRP . . . . . 0.533 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 31.3 m95 -139.31 169.59 17.49 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.359 0.599 . . . . 0.0 112.483 -179.65 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' W' W ' 536' ' ' SER . . . . . 0.927 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.1 OUTLIER -142.4 -158.95 0.91 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.29 179.936 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' W' W ' 537' ' ' MET . . . . . 0.911 ' HG3' HD22 ' W' ' 531' ' ' LEU . 17.3 mtp -148.79 126.89 12.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.689 179.798 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' W' W ' 538' ' ' GLN . . . . . 0.46 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 1.5 tp60 -152.46 132.6 13.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.136 -179.637 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' W' W ' 539' ' ' VAL . . . . . 0.721 HG22 ' CG2' ' W' ' 545' ' ' THR . 12.6 t -80.43 127.6 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.464 179.609 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' W' W ' 540' ' ' ALA . . . . . 0.669 ' HB2' ' CD1' ' W' ' 546' ' ' PHE . . . -91.15 141.34 26.25 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.159 -179.661 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -55.0 -23.42 34.99 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.542 2.162 . . . . 0.0 111.471 179.457 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -51.99 -34.37 42.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.718 179.642 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 130.37 -12.84 5.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.908 179.767 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' W' W ' 544' ' ' ARG . . . . . 0.52 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -126.56 155.38 42.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.973 0.416 . . . . 0.0 111.206 -179.799 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' W' W ' 545' ' ' THR . . . . . 0.721 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.2 OUTLIER -84.68 146.13 27.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.435 179.289 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' W' W ' 546' ' ' PHE . . . . . 0.669 ' CD1' ' HB2' ' W' ' 540' ' ' ALA . 5.3 p90 -121.16 179.3 4.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.059 179.927 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' W' W ' 547' ' ' PHE . . . . . 0.479 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.3 OUTLIER -124.93 120.64 32.19 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.552 179.707 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' W' W ' 548' ' ' ILE . . . . . 0.577 ' HA ' HG22 ' W' ' 555' ' ' THR . 2.8 mp -79.32 143.39 12.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.429 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' W' W ' 549' ' ' ASP . . . . . 0.45 ' OD1' ' CE2' ' W' ' 535' ' ' TRP . 32.0 t70 -123.76 119.73 30.61 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.972 -179.288 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' W' W ' 550' ' ' HIS . . . . . 0.419 ' O ' ' HD3' ' W' ' 553' ' ' ARG . 0.5 OUTLIER -91.27 -23.78 20.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.777 179.938 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -60.93 -39.41 89.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.179 -179.827 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.35 -12.33 10.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.678 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' W' W ' 553' ' ' ARG . . . . . 0.484 ' HA ' ' CD2' ' P' ' 232' ' ' TYR . 0.2 OUTLIER 74.84 55.16 0.08 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.772 0.32 . . . . 0.0 110.823 -179.756 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' W' W ' 554' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' W' ' 549' ' ' ASP . 14.3 mtp180 -155.0 172.27 18.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' W' W ' 555' ' ' THR . . . . . 0.577 HG22 ' HA ' ' W' ' 548' ' ' ILE . 67.5 p -123.75 -176.26 3.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.808 0.337 . . . . 0.0 111.061 179.829 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' W' W ' 556' ' ' THR . . . . . 0.448 ' CA ' HD11 ' P' ' 229' ' ' LEU . 1.0 OUTLIER -174.88 166.89 3.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.439 179.973 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' W' W ' 557' ' ' TRP . . . . . 0.52 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 25.9 m95 -91.93 21.0 5.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.14 179.701 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.3 mm -133.48 143.9 37.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.075 0.464 . . . . 0.0 111.898 -178.771 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' W' W ' 559' ' ' ASP . . . . . 0.433 ' HA ' ' HD2' ' W' ' 560' ' ' PRO . 3.4 m-20 -94.79 111.51 54.58 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.687 179.783 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' W' W ' 560' ' ' PRO . . . . . 0.533 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 3.6 Cg_endo -49.6 -35.24 36.99 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 121.99 1.793 . . . . 0.0 111.531 179.896 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' W' W ' 561' ' ' ARG . . . . . 0.435 ' HB2' ' HB3' ' W' ' 529' ' ' GLU . 0.1 OUTLIER -49.99 -41.57 47.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.788 179.539 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -116.51 -64.44 1.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.801 179.885 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 118.45 33.86 1.16 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.454 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' W' W ' 564' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' W' ' 566' ' ' SER . 13.7 mtp180 -129.36 173.15 10.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.69 0.281 . . . . 0.0 110.813 179.905 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -65.13 70.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.546 -179.649 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' W' W ' 566' ' ' SER . . . . . 0.426 ' N ' ' O ' ' W' ' 564' ' ' ARG . 6.5 p . . . . . 0 C--N 1.332 -0.193 0 CA-C-N 116.179 -0.464 . . . . 99.989999999999995 111.476 179.658 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 65.3 p . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.785 0.326 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . 90.71 22.95 32.11 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' P' P ' 229' ' ' LEU . . . . . 0.497 ' HB2' ' CZ2' ' W' ' 557' ' ' TRP . 0.5 OUTLIER -105.57 100.59 27.44 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 120.519 0.199 . . . . 0.0 111.123 -179.701 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' P' P ' 230' ' ' PRO . . . . . 0.655 ' HB2' ' HB2' ' P' ' 235' ' ' ALA . 40.0 Cg_exo -56.38 93.8 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.331 2.021 . . . . 0.0 111.619 179.539 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' P' P ' 231' ' ' SER . . . . . 0.419 ' O ' ' N ' ' P' ' 233' ' ' ASP . 5.8 m -60.1 146.56 42.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.485 -179.442 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' P' P ' 232' ' ' TYR . . . . . 0.566 ' N ' HG23 ' W' ' 555' ' ' THR . 37.8 t80 -53.28 88.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.712 179.777 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' P' P ' 233' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' P' ' 231' ' ' SER . 0.3 OUTLIER 175.47 -37.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.768 -179.873 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -116.12 -20.56 9.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.4 -179.795 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' P' P ' 235' ' ' ALA . . . . . 0.655 ' HB2' ' HB2' ' P' ' 230' ' ' PRO . . . -72.01 -31.25 66.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.759 0.314 . . . . 0.0 111.272 -179.803 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' P' P ' 236' ' ' LEU . . . . . 0.515 HD11 ' CD1' ' P' ' 232' ' ' TYR . 5.4 mp -62.68 117.69 6.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 -179.775 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 99.989999999999995 110.949 -179.984 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' W' W ' 521' ' ' GLY . . . . . 0.59 ' N ' ' HD2' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.475 0 N-CA-C 110.1 -1.2 . . . . 99.989999999999995 110.1 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' W' W ' 522' ' ' PRO . . . . . 0.59 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 58.0 Cg_endo -71.88 121.3 7.5 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.588 2.192 . . . . 0.0 112.42 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 10.1 tp 69.84 74.63 0.23 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . 116.02 -152.45 17.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 -179.939 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 58.9 m 62.32 152.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.848 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . 115.46 -111.57 2.49 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.508 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -134.46 34.77 3.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -141.13 102.88 4.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.819 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' W' W ' 529' ' ' GLU . . . . . 0.43 ' HB3' ' HD3' ' W' ' 561' ' ' ARG . 0.0 OUTLIER -72.16 143.15 85.69 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.077 -179.942 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' W' W ' 530' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' W' ' 529' ' ' GLU . 46.6 Cg_exo -56.7 150.11 55.2 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.682 2.254 . . . . 0.0 112.629 179.929 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' W' W ' 531' ' ' LEU . . . . . 0.655 HD13 ' HA ' ' W' ' 536' ' ' SER . 1.0 OUTLIER -96.33 136.64 21.84 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.618 179.233 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' W' W ' 532' ' ' PRO . . . . . 0.486 ' HB2' ' CD1' ' W' ' 535' ' ' TRP . 71.9 Cg_exo -49.67 -176.01 0.01 OUTLIER 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 122.468 2.112 . . . . 0.0 113.5 -178.734 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' W' W ' 533' ' ' PRO . . . . . 0.44 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 17.1 Cg_exo -71.15 -1.11 9.07 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.584 2.856 . . . . 0.0 115.153 -177.893 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' W' W ' 534' ' ' ARG . . . . . 0.439 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 6.1 mmt180 -151.17 38.46 0.65 Allowed 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 120.211 -0.596 . . . . 0.0 111.492 -179.189 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' W' W ' 535' ' ' TRP . . . . . 0.518 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 31.8 m95 -139.24 168.91 18.76 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.34 0.591 . . . . 0.0 112.439 -179.632 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' W' W ' 536' ' ' SER . . . . . 0.655 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.1 OUTLIER -146.32 -157.31 0.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.334 -179.826 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' W' W ' 537' ' ' MET . . . . . 0.42 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 28.3 mtp -149.17 128.9 13.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.797 0.332 . . . . 0.0 110.85 179.889 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' W' W ' 538' ' ' GLN . . . . . 0.46 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 0.7 OUTLIER -153.21 134.6 14.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.041 -179.713 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' W' W ' 539' ' ' VAL . . . . . 0.601 HG22 ' CG2' ' W' ' 545' ' ' THR . 2.3 t -81.56 133.1 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.767 179.828 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' W' W ' 540' ' ' ALA . . . . . 0.705 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -99.14 154.93 37.07 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.234 -179.712 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -61.75 -25.51 78.74 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.528 2.152 . . . . 0.0 111.655 179.678 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -50.16 -34.41 22.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.835 179.711 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 126.62 -8.45 7.34 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.944 179.889 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' W' W ' 544' ' ' ARG . . . . . 0.519 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -130.88 154.49 48.02 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.946 0.403 . . . . 0.0 111.237 -179.801 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' W' W ' 545' ' ' THR . . . . . 0.601 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.8 OUTLIER -82.16 146.49 29.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.759 179.628 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' W' W ' 546' ' ' PHE . . . . . 0.705 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 5.3 p90 -119.56 -176.5 3.17 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 -179.893 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' W' W ' 547' ' ' PHE . . . . . 0.496 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.6 OUTLIER -125.85 123.71 39.28 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.584 179.716 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' W' W ' 548' ' ' ILE . . . . . 0.586 HG13 HG22 ' W' ' 555' ' ' THR . 2.7 mp -85.4 149.79 4.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.798 -179.64 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -126.77 116.44 20.91 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' W' W ' 550' ' ' HIS . . . . . 0.419 ' CD2' ' N ' ' W' ' 550' ' ' HIS . 6.7 m170 -81.56 -29.94 33.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.999 -179.853 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -48.88 -33.96 11.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.144 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.76 7.2 3.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.658 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' W' W ' 553' ' ' ARG . . . . . 0.465 ' HA ' ' CD2' ' P' ' 232' ' ' TYR . 10.1 mmt85 58.91 61.35 2.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.612 0.244 . . . . 0.0 111.085 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' W' W ' 554' ' ' ARG . . . . . 0.404 ' CZ ' ' HB2' ' W' ' 554' ' ' ARG . 13.2 mtm105 -144.6 -166.17 2.32 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.853 0.359 . . . . 0.0 111.415 -179.877 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' W' W ' 555' ' ' THR . . . . . 0.586 HG22 HG13 ' W' ' 548' ' ' ILE . 65.2 p -146.78 -178.4 6.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.801 179.938 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.21 163.2 2.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.214 179.766 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' W' W ' 557' ' ' TRP . . . . . 0.519 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 18.8 m95 -88.58 16.26 6.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.71 -179.887 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.0 mm -128.02 143.14 41.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.036 0.446 . . . . 0.0 111.858 -178.938 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' W' W ' 559' ' ' ASP . . . . . 0.435 ' HA ' ' HD2' ' W' ' 560' ' ' PRO . 1.4 m-20 -98.48 111.28 59.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.122 -179.61 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' W' W ' 560' ' ' PRO . . . . . 0.518 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 5.6 Cg_endo -50.93 -34.6 46.5 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 121.962 1.775 . . . . 0.0 111.44 179.682 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' W' W ' 561' ' ' ARG . . . . . 0.43 ' HD3' ' HB3' ' W' ' 529' ' ' GLU . 0.0 OUTLIER -53.84 -29.39 40.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.709 179.483 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -130.36 -67.21 0.74 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' W' W ' 563' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' W' ' 559' ' ' ASP . . . 117.11 49.16 0.42 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.467 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -145.12 166.39 25.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.364 . . . . 0.0 110.955 -179.92 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -62.27 118.16 7.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.098 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' W' W ' 566' ' ' SER . . . . . 0.407 ' HB2' ' OD1' ' W' ' 559' ' ' ASP . 1.8 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 99.989999999999995 110.981 -179.881 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.785 0.326 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' P' P ' 228' ' ' GLY . . . . . 0.403 ' O ' ' HD3' ' P' ' 230' ' ' PRO . . . 133.89 59.31 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' P' P ' 229' ' ' LEU . . . . . 0.5 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 4.1 tp -101.75 104.04 32.47 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 120.481 0.181 . . . . 0.0 110.863 179.903 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' P' P ' 230' ' ' PRO . . . . . 0.539 ' HB2' ' HB2' ' P' ' 235' ' ' ALA . 14.4 Cg_exo -69.64 110.51 2.55 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.676 2.25 . . . . 0.0 111.966 -179.899 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 19.5 p -49.48 156.72 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.06 -179.827 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' P' P ' 232' ' ' TYR . . . . . 0.563 ' CG ' HG23 ' W' ' 548' ' ' ILE . 1.2 t80 -74.45 82.35 1.95 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.94 -179.76 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 28.7 t70 177.22 -36.03 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.698 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.76 -24.87 14.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.821 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' P' P ' 235' ' ' ALA . . . . . 0.539 ' HB2' ' HB2' ' P' ' 230' ' ' PRO . . . -99.31 63.38 1.29 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.156 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.51 74.18 0.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.067 -179.897 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 4.3 p80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 99.989999999999995 110.823 179.786 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' W' W ' 521' ' ' GLY . . . . . 0.63 ' N ' ' HD2' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.448 -0.509 0 N-CA-C 110.095 -1.202 . . . . 99.989999999999995 110.095 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' W' W ' 522' ' ' PRO . . . . . 0.63 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 51.7 Cg_endo -68.77 -46.25 1.82 Allowed 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.53 2.153 . . . . 0.0 112.248 179.888 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 3.2 mt -105.65 64.78 0.7 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.764 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -148.68 166.9 29.25 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.442 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.61 154.87 42.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . 140.65 148.28 5.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -72.6 -59.31 2.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.856 0.36 . . . . 0.0 110.804 179.919 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -155.75 -83.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.792 179.913 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' W' W ' 529' ' ' GLU . . . . . 0.44 ' HB3' ' CD ' ' W' ' 561' ' ' ARG . 3.1 tp10 -124.37 125.19 25.69 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.993 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.74 113.02 1.19 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.499 2.133 . . . . 0.0 112.334 179.933 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' W' W ' 531' ' ' LEU . . . . . 0.988 HD21 ' HG3' ' W' ' 537' ' ' MET . 1.0 OUTLIER -51.66 140.24 28.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.441 179.717 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' W' W ' 532' ' ' PRO . . . . . 0.47 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 70.8 Cg_exo -50.76 -174.2 0.01 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.427 2.084 . . . . 0.0 112.954 -179.435 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' W' W ' 533' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 22.1 Cg_exo -68.43 -12.15 34.02 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.282 2.655 . . . . 0.0 115.223 -178.056 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' W' W ' 534' ' ' ARG . . . . . 0.446 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 19.2 mmt180 -142.2 45.35 1.65 Allowed 'General case' 0 C--N 1.314 -0.97 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.744 -178.833 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' W' W ' 535' ' ' TRP . . . . . 0.518 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 41.3 m95 -143.32 169.2 18.09 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -179.65 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' W' W ' 536' ' ' SER . . . . . 0.81 ' HA ' HD22 ' W' ' 531' ' ' LEU . 0.3 OUTLIER -154.95 -163.77 1.64 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.332 179.906 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' W' W ' 537' ' ' MET . . . . . 0.988 ' HG3' HD21 ' W' ' 531' ' ' LEU . 5.2 mtt -131.28 153.22 49.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.075 -179.741 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' W' W ' 538' ' ' GLN . . . . . 0.547 ' HB2' HD11 ' W' ' 548' ' ' ILE . 4.8 tp-100 -169.17 128.49 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.789 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' W' W ' 539' ' ' VAL . . . . . 0.784 HG22 ' CG2' ' W' ' 545' ' ' THR . 17.9 t -85.44 125.67 40.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.575 179.66 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' W' W ' 540' ' ' ALA . . . . . 0.812 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -100.53 152.55 37.87 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.423 -179.388 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_exo -60.46 -25.61 80.9 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.666 2.244 . . . . 0.0 111.512 179.545 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -47.18 -34.03 5.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.667 179.674 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 126.32 -10.43 7.3 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.747 179.833 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' W' W ' 544' ' ' ARG . . . . . 0.512 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.1 OUTLIER -131.3 155.24 47.52 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.942 0.401 . . . . 0.0 111.16 -179.936 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' W' W ' 545' ' ' THR . . . . . 0.784 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.6 OUTLIER -80.37 146.11 31.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.16 179.221 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' W' W ' 546' ' ' PHE . . . . . 0.812 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 4.7 p90 -118.44 169.54 9.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.885 0.374 . . . . 0.0 110.958 179.884 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' W' W ' 547' ' ' PHE . . . . . 0.677 ' CE2' HD23 ' W' ' 531' ' ' LEU . 0.6 OUTLIER -115.64 129.31 56.45 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.476 0.655 . . . . 0.0 111.05 -179.558 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' W' W ' 548' ' ' ILE . . . . . 0.631 HG13 HG22 ' W' ' 555' ' ' THR . 2.7 mp -89.21 151.25 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.678 -179.817 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' W' W ' 549' ' ' ASP . . . . . 0.436 ' OD2' ' CZ2' ' W' ' 535' ' ' TRP . 7.1 t70 -128.67 115.32 17.85 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.926 -179.758 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' W' W ' 550' ' ' HIS . . . . . 0.415 ' HB2' ' HD3' ' W' ' 534' ' ' ARG . 1.5 m80 -82.31 -24.58 34.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -54.94 -39.9 69.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.757 179.706 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.86 -4.33 8.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.549 179.911 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' W' W ' 553' ' ' ARG . . . . . 0.431 ' HA ' ' CD2' ' P' ' 232' ' ' TYR . 13.0 mmt180 66.59 64.09 0.5 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.836 0.35 . . . . 0.0 110.841 -179.666 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -152.7 -174.97 5.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.801 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' W' W ' 555' ' ' THR . . . . . 0.631 HG22 HG13 ' W' ' 548' ' ' ILE . 41.3 p -137.78 171.21 14.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 179.792 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 1.8 t -164.52 169.97 16.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.064 0.459 . . . . 0.0 111.385 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' W' W ' 557' ' ' TRP . . . . . 0.512 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 27.7 m95 -93.49 19.87 7.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.144 179.795 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 4.6 mm -133.36 137.27 53.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.916 0.388 . . . . 0.0 111.572 -179.133 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' W' W ' 559' ' ' ASP . . . . . 0.499 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 21.9 p30 -97.71 114.39 64.89 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.687 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' W' W ' 560' ' ' PRO . . . . . 0.518 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 5.1 Cg_endo -50.54 -35.97 47.9 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.374 2.049 . . . . 0.0 112.217 -179.766 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' W' W ' 561' ' ' ARG . . . . . 0.44 ' CD ' ' HB3' ' W' ' 529' ' ' GLU . 0.1 OUTLIER -49.02 -32.33 9.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.925 179.823 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' W' W ' 562' ' ' ASN . . . . . 0.411 ' ND2' ' OD2' ' W' ' 559' ' ' ASP . 3.0 m-20 -129.35 -63.71 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.725 -179.918 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 120.9 33.96 0.94 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.612 179.92 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.55 178.74 6.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' W' W ' 565' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' W' ' 557' ' ' TRP . . . -50.83 108.94 0.27 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.05 -0.523 . . . . 99.989999999999995 110.968 179.98 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' P' P ' 227' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' P' ' 228' ' ' GLY . 2.8 t . . . . . 0 N--CA 1.485 1.279 0 CA-C-O 120.725 0.297 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' P' P ' 228' ' ' GLY . . . . . 0.413 ' N ' ' OG1' ' P' ' 227' ' ' THR . . . 122.82 36.16 0.69 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.443 -179.927 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' P' P ' 229' ' ' LEU . . . . . 0.495 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 0.4 OUTLIER -105.91 101.01 31.09 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.624 0.25 . . . . 0.0 111.013 -179.892 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' P' P ' 230' ' ' PRO . . . . . 0.524 ' HB3' ' HB2' ' P' ' 235' ' ' ALA . 33.3 Cg_exo -57.58 104.52 0.16 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.363 2.042 . . . . 0.0 112.058 179.808 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 16.7 t -53.19 154.42 3.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.256 -179.786 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' P' P ' 232' ' ' TYR . . . . . 0.558 ' CG ' HG23 ' W' ' 548' ' ' ILE . 1.1 t80 -70.19 72.7 0.45 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.965 -179.897 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -173.28 -41.81 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.667 179.887 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -108.53 21.67 16.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.931 179.693 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' P' P ' 235' ' ' ALA . . . . . 0.524 ' HB2' ' HB3' ' P' ' 230' ' ' PRO . . . -153.54 70.96 0.86 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.086 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -152.31 29.51 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 8.2 p80 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 99.989999999999995 110.88 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' W' W ' 531' ' ' LEU . . . . . 0.807 HD13 ' HA ' ' W' ' 536' ' ' SER . 0.3 OUTLIER . . . . . 0 N--CA 1.461 0.086 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 532' ' ' PRO . . . . . 0.442 ' HG2' ' HG2' ' W' ' 560' ' ' PRO . 83.4 Cg_exo -49.0 179.16 0.01 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.218 1.945 . . . . 0.0 112.674 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 533' ' ' PRO . . . . . 0.44 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 93.1 Cg_exo -45.55 -40.02 17.85 Favored 'Trans proline' 0 CA--C 1.515 -0.442 0 C-N-CA 123.337 2.691 . . . . 0.0 115.335 -178.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 534' ' ' ARG . . . . . 0.434 ' HB3' ' N ' ' W' ' 551' ' ' ALA . 11.2 mmm180 -131.88 63.76 1.61 Allowed 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.713 -178.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 535' ' ' TRP . . . . . 0.556 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 70.4 m95 -150.11 162.22 40.84 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 536' ' ' SER . . . . . 0.807 ' HA ' HD13 ' W' ' 531' ' ' LEU . 1.7 m -145.49 -171.81 3.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.001 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 537' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.39 123.59 8.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.973 0.416 . . . . 0.0 111.342 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 538' ' ' GLN . . . . . 0.487 ' HB2' HD11 ' W' ' 548' ' ' ILE . 0.3 OUTLIER -144.41 140.63 29.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.632 179.702 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' W' W ' 539' ' ' VAL . . . . . 0.491 ' HA ' HG22 ' W' ' 545' ' ' THR . 7.3 p -79.02 136.23 24.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 540' ' ' ALA . . . . . 0.806 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -101.52 168.54 8.95 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 541' ' ' PRO . . . . . 0.797 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 54.3 Cg_endo -69.79 -23.92 30.14 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.513 2.142 . . . . 0.0 112.113 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 542' ' ' ASN . . . . . 0.411 ' ND2' ' HD2' ' W' ' 544' ' ' ARG . 35.5 t-20 -52.62 -31.92 39.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.712 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 123.13 -8.15 9.13 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.036 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 544' ' ' ARG . . . . . 0.524 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 0.1 OUTLIER -129.57 158.59 38.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.992 0.425 . . . . 0.0 111.25 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' W' W ' 545' ' ' THR . . . . . 0.491 HG22 ' HA ' ' W' ' 539' ' ' VAL . 2.1 p -87.88 147.11 25.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.212 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 546' ' ' PHE . . . . . 0.806 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 4.0 p90 -120.16 -175.04 2.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.044 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 547' ' ' PHE . . . . . 0.522 ' CE2' HD23 ' W' ' 531' ' ' LEU . 2.5 m-85 -125.78 116.39 21.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.748 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 548' ' ' ILE . . . . . 0.487 HD11 ' HB2' ' W' ' 538' ' ' GLN . 3.5 mt -79.89 135.75 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -102.72 111.96 24.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.656 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 550' ' ' HIS . . . . . 0.411 ' HB2' ' HB3' ' W' ' 534' ' ' ARG . 29.2 m-70 -81.32 -23.54 37.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.074 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 551' ' ' ALA . . . . . 0.434 ' N ' ' HB3' ' W' ' 534' ' ' ARG . . . -59.93 -38.92 83.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.067 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.52 19.47 3.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.93 76.44 0.11 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.81 0.338 . . . . 0.0 111.166 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -150.02 -162.95 1.66 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.954 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 59.8 p -155.22 157.92 38.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 556' ' ' THR . . . . . 0.458 HG22 ' HZ3' ' W' ' 535' ' ' TRP . 4.3 t -155.61 157.08 36.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.046 0.45 . . . . 0.0 111.219 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 557' ' ' TRP . . . . . 0.524 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 17.0 m95 -80.71 -21.41 41.24 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.807 -179.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 2.6 mt -100.29 133.29 43.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.952 0.406 . . . . 0.0 111.527 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 559' ' ' ASP . . . . . 0.421 ' CB ' ' CE1' ' W' ' 547' ' ' PHE . 2.7 p30 -72.31 141.06 82.92 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.99 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 560' ' ' PRO . . . . . 0.556 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 22.0 Cg_endo -84.34 -27.33 1.47 Allowed 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.536 2.157 . . . . 0.0 111.948 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.61 -24.03 19.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.894 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -139.26 -57.31 0.59 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.593 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.414 -179.904 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.677 -0.169 . . . . 0.0 112.677 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' P' P ' 229' ' ' LEU . . . . . 0.504 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 32.0 tp 64.01 76.25 0.35 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.74 0.305 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -61.99 99.11 0.18 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.595 2.197 . . . . 0.0 112.122 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 10.4 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.015 -179.927 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' W' W ' 531' ' ' LEU . . . . . 0.787 HD13 ' HA ' ' W' ' 536' ' ' SER . 1.1 mt . . . . . 0 CA--C 1.531 0.222 0 CA-C-O 120.429 0.157 . . . . 0.0 110.768 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 532' ' ' PRO . . . . . 0.541 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 92.4 Cg_exo -46.5 179.76 0.0 OUTLIER 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 123.005 2.47 . . . . 0.0 112.831 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 533' ' ' PRO . . . . . 0.541 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 25.2 Cg_exo -36.04 -62.36 0.25 Allowed 'Trans proline' 0 CA--C 1.517 -0.37 0 C-N-CA 123.473 2.782 . . . . 0.0 114.667 -179.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 534' ' ' ARG . . . . . 0.474 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 10.5 mmm180 -116.33 73.37 0.85 Allowed 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.759 -178.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 535' ' ' TRP . . . . . 0.565 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 83.7 m95 -157.38 152.63 26.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.796 -179.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 536' ' ' SER . . . . . 0.787 ' HA ' HD13 ' W' ' 531' ' ' LEU . 1.4 m -146.06 -171.87 3.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.068 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 537' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.04 134.17 18.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.943 0.402 . . . . 0.0 110.99 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 538' ' ' GLN . . . . . 0.475 ' O ' ' CD1' ' W' ' 546' ' ' PHE . 0.0 OUTLIER -145.06 141.79 29.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.801 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' W' W ' 539' ' ' VAL . . . . . 0.855 HG22 ' CG2' ' W' ' 545' ' ' THR . 39.9 t -76.15 139.44 18.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.0 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 540' ' ' ALA . . . . . 0.817 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -109.63 165.57 12.4 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.415 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 541' ' ' PRO . . . . . 0.7 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 47.8 Cg_endo -68.55 -24.96 35.32 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.603 2.202 . . . . 0.0 111.838 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -53.18 -36.79 61.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.723 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 128.8 -9.53 6.39 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.06 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 544' ' ' ARG . . . . . 0.527 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 1.3 ptm180 -128.04 156.81 42.17 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.003 0.43 . . . . 0.0 111.342 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 545' ' ' THR . . . . . 0.855 ' CG2' HG22 ' W' ' 539' ' ' VAL . 1.4 p -83.29 146.42 28.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.165 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 546' ' ' PHE . . . . . 0.817 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 9.1 p90 -122.13 -174.63 2.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 547' ' ' PHE . . . . . 0.505 ' CE1' ' HB3' ' W' ' 559' ' ' ASP . 3.3 m-85 -114.33 165.59 12.55 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.08 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 548' ' ' ILE . . . . . 0.422 ' HB ' ' HB2' ' W' ' 536' ' ' SER . 16.6 mt -130.9 108.47 15.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.388 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 549' ' ' ASP . . . . . 0.49 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 19.7 t70 -82.87 109.04 16.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.78 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 550' ' ' HIS . . . . . 0.419 ' HB2' ' HB3' ' W' ' 534' ' ' ARG . 35.3 m-70 -80.16 -25.51 39.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -57.87 -30.99 66.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.28 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.83 20.18 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.303 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 5.9 mmt85 47.28 76.17 0.11 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.218 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -149.53 -173.84 4.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.85 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 555' ' ' THR . . . . . 0.694 ' HB ' HD11 ' P' ' 229' ' ' LEU . 71.1 p -146.12 158.32 43.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.94 0.4 . . . . 0.0 111.405 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 556' ' ' THR . . . . . 0.42 HG23 ' HB2' ' W' ' 547' ' ' PHE . 7.4 t -151.07 164.21 36.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.263 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 557' ' ' TRP . . . . . 0.527 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 14.8 m95 -89.86 -16.26 30.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.964 -179.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 10.0 mm -114.45 143.83 23.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.017 0.437 . . . . 0.0 111.782 -179.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 559' ' ' ASP . . . . . 0.505 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 2.1 p30 -76.07 141.54 71.16 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.695 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 560' ' ' PRO . . . . . 0.565 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 30.2 Cg_endo -86.01 -23.44 2.01 Favored 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 122.629 2.219 . . . . 0.0 112.222 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.69 -29.66 40.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.008 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 562' ' ' ASN . . . . . 0.404 ' ND2' ' OD1' ' W' ' 559' ' ' ASP . 11.8 p30 -145.28 -47.59 0.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.04 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.237 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.88 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' P' P ' 228' ' ' GLY . . . . . 0.401 ' O ' ' HD3' ' P' ' 230' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 229' ' ' LEU . . . . . 0.694 HD11 ' HB ' ' W' ' 555' ' ' THR . 25.3 tp -112.7 90.49 15.17 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.744 0.307 . . . . 0.0 110.886 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 230' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' P' ' 228' ' ' GLY . 46.8 Cg_exo -55.86 121.18 9.51 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.496 2.13 . . . . 0.0 112.221 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.888 -179.936 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' W' W ' 531' ' ' LEU . . . . . 0.894 HD23 ' CE2' ' W' ' 547' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.143 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 532' ' ' PRO . . . . . 0.469 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 81.9 Cg_exo -48.15 179.65 0.01 OUTLIER 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 122.501 2.134 . . . . 0.0 112.724 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 533' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 82.3 Cg_exo -43.65 -50.67 6.85 Favored 'Trans proline' 0 CA--C 1.516 -0.406 0 C-N-CA 123.383 2.722 . . . . 0.0 115.179 -178.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 534' ' ' ARG . . . . . 0.481 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 23.3 mmt180 -120.88 67.17 0.86 Allowed 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.629 -178.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 535' ' ' TRP . . . . . 0.557 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 81.0 m95 -154.22 156.14 36.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.159 0.505 . . . . 0.0 111.958 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 536' ' ' SER . . . . . 0.84 ' HA ' HD13 ' W' ' 531' ' ' LEU . 2.1 m -143.73 -171.78 3.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.057 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 537' ' ' MET . . . . . 0.456 ' HG3' HD21 ' W' ' 531' ' ' LEU . 0.3 OUTLIER -149.4 141.13 23.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.954 0.407 . . . . 0.0 111.455 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' W' W ' 538' ' ' GLN . . . . . 0.464 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 0.0 OUTLIER -164.22 135.91 4.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.486 179.767 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' W' W ' 539' ' ' VAL . . . . . 0.911 HG22 HG23 ' W' ' 545' ' ' THR . 21.3 t -69.35 141.03 17.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.962 0.41 . . . . 0.0 111.471 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 540' ' ' ALA . . . . . 0.918 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -107.68 169.78 6.29 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.1 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 541' ' ' PRO . . . . . 0.805 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 58.3 Cg_endo -71.4 -18.9 29.42 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.656 2.237 . . . . 0.0 112.398 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -60.54 -34.96 74.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 129.83 -12.81 5.87 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.593 -0.813 . . . . 0.0 113.007 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 544' ' ' ARG . . . . . 0.518 ' HG3' ' CE3' ' W' ' 557' ' ' TRP . 2.2 ptm180 -127.67 158.8 36.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.9 0.35 . . . . 0.0 111.14 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 545' ' ' THR . . . . . 0.911 HG23 HG22 ' W' ' 539' ' ' VAL . 0.6 OUTLIER -82.7 146.76 28.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.243 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' W' W ' 546' ' ' PHE . . . . . 0.918 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 4.1 p90 -122.29 161.57 23.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.071 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 547' ' ' PHE . . . . . 0.894 ' CE2' HD23 ' W' ' 531' ' ' LEU . 1.9 m-85 -102.68 122.39 44.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.979 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 548' ' ' ILE . . . . . 0.45 HD11 ' HB2' ' W' ' 538' ' ' GLN . 2.9 mp -80.6 133.88 28.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.837 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 549' ' ' ASP . . . . . 0.473 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 17.7 t0 -108.57 107.09 17.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -78.68 -26.64 45.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.018 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -56.4 -26.15 52.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.9 16.75 1.41 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.435 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? 50.26 65.86 1.32 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.817 0.341 . . . . 0.0 111.039 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.54 -162.05 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.067 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 555' ' ' THR . . . . . 0.527 ' O ' HD21 ' P' ' 229' ' ' LEU . 46.5 p -156.83 161.73 39.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.966 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 556' ' ' THR . . . . . 0.598 ' N ' HD11 ' P' ' 229' ' ' LEU . 14.5 t -155.62 167.37 30.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.95 0.405 . . . . 0.0 111.325 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 557' ' ' TRP . . . . . 0.518 ' CE3' ' HG3' ' W' ' 544' ' ' ARG . 11.5 m95 -93.76 -21.3 19.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.502 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.0 mm -105.57 133.46 49.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.333 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 559' ' ' ASP . . . . . 0.505 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 8.8 p30 -69.55 143.88 93.45 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.231 -179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 560' ' ' PRO . . . . . 0.557 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 37.5 Cg_endo -87.48 -20.27 2.14 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 122.742 2.295 . . . . 0.0 112.292 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 561' ' ' ARG . . . . . 0.403 ' HD2' ' ND2' ' W' ' 562' ' ' ASN . 0.1 OUTLIER -56.57 -27.75 58.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.036 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' W' W ' 562' ' ' ASN . . . . . 0.403 ' ND2' ' HD2' ' W' ' 561' ' ' ARG . 8.1 p30 -144.27 -49.36 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.903 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' P' P ' 229' ' ' LEU . . . . . 0.598 HD11 ' N ' ' W' ' 556' ' ' THR . 49.7 tp -48.25 103.34 0.36 Allowed Pre-proline 0 C--N 1.331 -0.22 0 CA-C-O 120.47 0.176 . . . . 0.0 111.0 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 230' ' ' PRO . . . . . 0.404 ' HG2' ' CZ ' ' W' ' 546' ' ' PHE . 33.5 Cg_exo -58.94 -151.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.219 1.946 . . . . 0.0 111.648 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 9.4 p . . . . . 0 C--N 1.326 -0.418 0 CA-C-O 120.782 0.325 . . . . 0.0 110.956 179.821 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' W' W ' 531' ' ' LEU . . . . . 0.634 HD22 ' N ' ' W' ' 531' ' ' LEU . 2.1 mm? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.711 0.291 . . . . 0.0 110.506 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 532' ' ' PRO . . . . . 0.481 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 75.0 Cg_exo -48.94 -178.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.603 2.202 . . . . 0.0 112.798 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 533' ' ' PRO . . . . . 0.481 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 92.1 Cg_exo -45.5 -43.01 18.15 Favored 'Trans proline' 0 CA--C 1.516 -0.409 0 C-N-CA 123.312 2.675 . . . . 0.0 114.898 -178.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 534' ' ' ARG . . . . . 0.446 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 13.3 mmm180 -127.43 64.23 1.34 Allowed 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.529 -178.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 535' ' ' TRP . . . . . 0.535 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 67.0 m95 -149.79 160.55 43.47 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.162 0.506 . . . . 0.0 112.181 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 536' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.3 -156.31 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.386 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 537' ' ' MET . . . . . 0.435 ' HG3' HD11 ' W' ' 531' ' ' LEU . 26.9 mtp -157.13 131.64 8.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 0.0 111.034 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 538' ' ' GLN . . . . . 0.515 ' HB2' HD11 ' W' ' 548' ' ' ILE . 0.3 OUTLIER -149.86 150.09 31.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.953 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' W' W ' 539' ' ' VAL . . . . . 0.474 ' HA ' HG22 ' W' ' 545' ' ' THR . 14.4 p -92.45 136.4 24.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.896 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 540' ' ' ALA . . . . . 0.795 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -106.97 167.1 9.96 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.157 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 541' ' ' PRO . . . . . 0.753 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 57.6 Cg_endo -71.07 -23.26 25.11 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.5 2.134 . . . . 0.0 111.961 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 542' ' ' ASN . . . . . 0.431 ' ND2' ' HD3' ' W' ' 544' ' ' ARG . 30.5 t30 -51.58 -31.11 23.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.621 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 122.68 -9.69 9.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.599 -0.81 . . . . 0.0 113.05 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 544' ' ' ARG . . . . . 0.514 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 0.2 OUTLIER -131.1 153.92 48.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.986 0.422 . . . . 0.0 111.295 -179.794 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' W' W ' 545' ' ' THR . . . . . 0.474 HG22 ' HA ' ' W' ' 539' ' ' VAL . 0.9 OUTLIER -81.0 146.56 30.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.506 179.592 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' W' W ' 546' ' ' PHE . . . . . 0.795 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 6.3 p90 -118.07 -175.62 2.89 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.209 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 547' ' ' PHE . . . . . 0.496 ' CZ ' ' HB3' ' W' ' 559' ' ' ASP . 12.1 m-85 -123.2 121.54 36.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.156 0.503 . . . . 0.0 110.687 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 548' ' ' ILE . . . . . 0.515 HD11 ' HB2' ' W' ' 538' ' ' GLN . 3.7 mp -86.32 140.36 15.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.481 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 549' ' ' ASP . . . . . 0.444 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 61.3 t0 -121.01 114.44 21.51 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 550' ' ' HIS . . . . . 0.437 ' HB3' ' CZ ' ' W' ' 534' ' ' ARG . 11.3 m-70 -81.85 -20.08 39.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.254 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.68 -34.84 79.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.34 . . . . 0.0 111.255 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.72 3.08 8.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.787 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 58.24 48.63 12.37 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.742 0.306 . . . . 0.0 110.877 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -145.36 158.48 43.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 555' ' ' THR . . . . . 0.502 ' OG1' HD21 ' P' ' 229' ' ' LEU . 61.7 p -110.37 169.81 8.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.769 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 556' ' ' THR . . . . . 0.552 ' N ' HD11 ' P' ' 229' ' ' LEU . 1.8 t -158.35 160.21 36.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.002 0.43 . . . . 0.0 111.324 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 557' ' ' TRP . . . . . 0.514 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 20.4 m95 -91.61 15.87 11.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.392 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -133.28 141.37 44.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.932 0.396 . . . . 0.0 111.319 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 559' ' ' ASP . . . . . 0.496 ' HB3' ' CZ ' ' W' ' 547' ' ' PHE . 2.2 p30 -84.29 133.2 45.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.097 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 560' ' ' PRO . . . . . 0.535 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 17.6 Cg_endo -81.91 -32.57 0.77 Allowed 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.334 2.023 . . . . 0.0 111.632 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.7 -25.74 3.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.889 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -136.45 -48.16 0.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.713 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.302 -179.801 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.41 -0.276 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' P' P ' 229' ' ' LEU . . . . . 0.552 HD11 ' N ' ' W' ' 556' ' ' THR . 0.4 OUTLIER -99.6 106.25 38.81 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.535 0.207 . . . . 0.0 110.966 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -69.08 104.6 1.24 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.651 2.234 . . . . 0.0 112.085 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 6.9 t . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.989 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' W' W ' 531' ' ' LEU . . . . . 0.789 HD22 ' CA ' ' W' ' 536' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.638 0.256 . . . . 0.0 110.651 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 532' ' ' PRO . . . . . 0.533 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 95.5 Cg_exo -48.3 -177.66 0.0 OUTLIER 'Trans proline' 0 CA--C 1.534 0.486 0 C-N-CA 122.941 2.427 . . . . 0.0 112.86 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 533' ' ' PRO . . . . . 0.533 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 51.4 Cg_exo -40.29 -57.33 1.23 Allowed 'Trans proline' 0 CA--C 1.514 -0.5 0 C-N-CA 123.459 2.772 . . . . 0.0 114.949 -178.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 534' ' ' ARG . . . . . 0.423 ' HB3' ' N ' ' W' ' 551' ' ' ALA . 5.8 mmm180 -121.24 71.49 0.95 Allowed 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.032 -178.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 535' ' ' TRP . . . . . 0.55 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 80.8 m95 -153.47 153.22 32.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.06 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 536' ' ' SER . . . . . 0.789 ' CA ' HD22 ' W' ' 531' ' ' LEU . 3.2 m -149.69 -173.74 4.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.305 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 537' ' ' MET . . . . . 0.447 ' SD ' ' CE1' ' W' ' 547' ' ' PHE . 0.0 OUTLIER -145.02 139.04 27.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.896 0.379 . . . . 0.0 111.072 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' W' W ' 538' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -148.96 154.15 38.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.719 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 539' ' ' VAL . . . . . 0.485 ' CA ' HG22 ' W' ' 545' ' ' THR . 7.6 p -96.93 133.32 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.325 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 540' ' ' ALA . . . . . 0.931 ' HB1' ' HD2' ' W' ' 541' ' ' PRO . . . -107.53 175.58 1.96 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.975 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 541' ' ' PRO . . . . . 0.931 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 73.7 Cg_endo -77.14 -20.24 12.98 Favored 'Trans proline' 0 N--CA 1.463 -0.288 0 C-N-CA 122.458 2.105 . . . . 0.0 112.019 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -51.17 -36.18 39.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.569 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 129.03 -12.61 6.09 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.911 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 544' ' ' ARG . . . . . 0.503 ' HG2' ' CH2' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.44 156.48 45.55 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.976 0.417 . . . . 0.0 111.453 -179.799 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' W' W ' 545' ' ' THR . . . . . 0.485 HG22 ' CA ' ' W' ' 539' ' ' VAL . 1.4 p -83.3 146.84 28.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.847 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 546' ' ' PHE . . . . . 0.78 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 7.0 p90 -120.57 -175.13 2.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.935 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 547' ' ' PHE . . . . . 0.622 ' CE2' HD23 ' W' ' 531' ' ' LEU . 3.1 m-85 -114.67 164.5 13.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.078 179.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 548' ' ' ILE . . . . . 0.784 HG12 HG22 ' W' ' 555' ' ' THR . 17.4 mt -132.82 107.35 11.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.306 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 549' ' ' ASP . . . . . 0.486 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 32.7 t0 -79.5 109.26 13.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.625 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 550' ' ' HIS . . . . . 0.414 ' HB2' ' HB3' ' W' ' 534' ' ' ARG . 31.5 m-70 -76.94 -20.25 56.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.414 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 551' ' ' ALA . . . . . 0.423 ' N ' ' HB3' ' W' ' 534' ' ' ARG . . . -67.8 -50.21 58.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.881 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.75 -16.21 19.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.214 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 74.92 53.49 0.08 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.894 0.378 . . . . 0.0 110.858 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 554' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' W' ' 549' ' ' ASP . 25.3 mtt-85 -143.35 -177.01 5.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.772 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 555' ' ' THR . . . . . 0.784 HG22 HG12 ' W' ' 548' ' ' ILE . 76.7 p -133.62 159.4 40.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.944 0.402 . . . . 0.0 111.321 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 556' ' ' THR . . . . . 0.471 ' N ' HD11 ' P' ' 229' ' ' LEU . 5.1 t -152.31 164.66 36.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.071 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 557' ' ' TRP . . . . . 0.503 ' CH2' ' HG2' ' W' ' 544' ' ' ARG . 24.7 m95 -88.05 -18.1 29.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.469 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 1.2 mp -100.77 147.97 7.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.909 0.385 . . . . 0.0 111.322 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 559' ' ' ASP . . . . . 0.495 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 2.6 p30 -95.78 145.0 28.78 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.117 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 560' ' ' PRO . . . . . 0.55 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 12.5 Cg_endo -83.14 -32.63 0.49 Allowed 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 122.45 2.1 . . . . 0.0 111.888 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.29 -24.29 27.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.93 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -136.3 -67.0 0.52 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.625 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.408 -179.953 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' P' P ' 228' ' ' GLY . . . . . 0.407 ' O ' ' HD3' ' P' ' 230' ' ' PRO . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 229' ' ' LEU . . . . . 0.471 HD11 ' N ' ' W' ' 556' ' ' THR . 0.4 OUTLIER -107.28 97.88 20.61 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-O 120.613 0.244 . . . . 0.0 110.994 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' P' P ' 230' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' P' ' 228' ' ' GLY . 63.2 Cg_exo -51.49 -172.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.629 2.219 . . . . 0.0 112.301 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.114 -179.881 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' W' W ' 531' ' ' LEU . . . . . 0.939 HD23 ' CE2' ' W' ' 547' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.118 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 532' ' ' PRO . . . . . 0.448 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 74.5 Cg_exo -49.13 -179.6 0.01 OUTLIER 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.348 2.032 . . . . 0.0 112.563 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 533' ' ' PRO . . . . . 0.448 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 86.4 Cg_exo -47.45 -40.34 29.14 Favored 'Trans proline' 0 CA--C 1.517 -0.37 0 C-N-CA 123.328 2.685 . . . . 0.0 115.262 -178.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 534' ' ' ARG . . . . . 0.413 ' HB3' ' HB2' ' W' ' 550' ' ' HIS . 7.7 mmm180 -130.35 61.89 1.59 Allowed 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.723 -178.097 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 535' ' ' TRP . . . . . 0.542 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 65.8 m95 -146.73 165.36 29.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.383 0.611 . . . . 0.0 112.609 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 536' ' ' SER . . . . . 0.738 ' HA ' HD13 ' W' ' 531' ' ' LEU . 3.5 m -153.51 -174.07 4.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.177 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 537' ' ' MET . . . . . 0.448 ' SD ' ' CE1' ' W' ' 547' ' ' PHE . 0.5 OUTLIER -142.06 144.2 33.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.873 0.368 . . . . 0.0 111.066 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' W' W ' 538' ' ' GLN . . . . . 0.437 ' HB3' ' CZ ' ' W' ' 546' ' ' PHE . 1.4 tp60 -158.77 140.44 13.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 539' ' ' VAL . . . . . 0.541 ' HA ' HG22 ' W' ' 545' ' ' THR . 11.7 p -87.95 127.07 41.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 540' ' ' ALA . . . . . 0.806 ' HB1' ' HD2' ' W' ' 541' ' ' PRO . . . -96.13 168.91 9.81 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 541' ' ' PRO . . . . . 0.806 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 60.2 Cg_endo -72.7 -23.12 19.78 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.615 2.21 . . . . 0.0 111.935 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -50.2 -41.15 49.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.753 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 135.17 -10.7 4.44 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.947 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 544' ' ' ARG . . . . . 0.487 ' HG3' ' CZ3' ' W' ' 557' ' ' TRP . 1.2 ptp180 -129.31 158.12 39.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.948 0.404 . . . . 0.0 111.221 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 545' ' ' THR . . . . . 0.541 HG22 ' HA ' ' W' ' 539' ' ' VAL . 0.6 OUTLIER -88.77 147.12 24.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.646 179.643 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' W' W ' 546' ' ' PHE . . . . . 0.744 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 3.3 p90 -119.51 177.58 4.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.085 0.469 . . . . 0.0 111.473 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 547' ' ' PHE . . . . . 0.939 ' CE2' HD23 ' W' ' 531' ' ' LEU . 0.4 OUTLIER -119.88 117.85 29.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.392 179.622 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' W' W ' 548' ' ' ILE . . . . . 0.43 ' O ' ' HA ' ' W' ' 535' ' ' TRP . 2.6 mp -81.56 136.07 23.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.557 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 549' ' ' ASP . . . . . 0.48 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 26.0 t70 -110.21 111.19 22.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.685 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 550' ' ' HIS . . . . . 0.413 ' HB2' ' HB3' ' W' ' 534' ' ' ARG . 9.7 m-70 -76.7 -28.82 56.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.11 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -52.91 -55.14 25.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.365 . . . . 0.0 111.095 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.94 -13.99 15.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.48 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 75.5 63.85 0.06 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.885 0.374 . . . . 0.0 110.692 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -144.77 -174.8 4.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.744 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 70.2 p -135.36 162.1 33.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.076 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 556' ' ' THR . . . . . 0.413 ' O ' ' HB2' ' W' ' 546' ' ' PHE . 4.2 t -160.26 159.27 31.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.273 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 557' ' ' TRP . . . . . 0.491 ' CE3' ' HB3' ' W' ' 546' ' ' PHE . 13.8 m95 -89.2 -10.95 45.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.851 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 1.3 mt -110.43 129.19 65.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.961 0.41 . . . . 0.0 111.446 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 559' ' ' ASP . . . . . 0.428 ' HA ' ' HD3' ' W' ' 560' ' ' PRO . 0.9 OUTLIER -71.07 142.62 87.72 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.017 -179.783 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' W' W ' 560' ' ' PRO . . . . . 0.542 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 11.1 Cg_endo -81.78 -32.45 0.83 Allowed 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.365 2.044 . . . . 0.0 111.909 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.46 -22.61 55.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.946 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -125.84 -65.81 0.97 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.617 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.302 -179.883 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.216 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' P' P ' 229' ' ' LEU . . . . . 0.438 ' HB2' ' NE1' ' W' ' 557' ' ' TRP . 40.1 tp -58.72 108.09 1.2 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.47 0.176 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -59.91 -153.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.367 2.045 . . . . 0.0 111.941 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 13.0 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.997 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' W' W ' 531' ' ' LEU . . . . . 0.739 HD22 ' CA ' ' W' ' 536' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.086 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 532' ' ' PRO . . . . . 0.499 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 71.0 Cg_exo -49.66 -177.76 0.01 OUTLIER 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.375 2.05 . . . . 0.0 112.378 -179.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 533' ' ' PRO . . . . . 0.499 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 56.2 Cg_exo -41.82 -48.35 5.99 Favored 'Trans proline' 0 CA--C 1.516 -0.389 0 C-N-CA 123.397 2.732 . . . . 0.0 115.206 -178.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 534' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -129.38 68.73 1.41 Allowed 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.079 -178.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 535' ' ' TRP . . . . . 0.56 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 64.7 m95 -148.03 155.44 41.5 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 536' ' ' SER . . . . . 0.739 ' CA ' HD22 ' W' ' 531' ' ' LEU . 4.8 m -152.33 -173.65 4.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.79 -1.095 . . . . 0.0 109.514 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 537' ' ' MET . . . . . 0.713 ' HG2' HD21 ' W' ' 531' ' ' LEU . 0.0 OUTLIER -159.14 130.05 6.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.087 0.47 . . . . 0.0 111.583 179.504 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' W' W ' 538' ' ' GLN . . . . . 0.582 ' HB2' HD11 ' W' ' 548' ' ' ILE . 1.3 mt-30 -133.69 145.26 49.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.288 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 539' ' ' VAL . . . . . 0.652 ' HA ' HG22 ' W' ' 545' ' ' THR . 12.9 p -75.49 129.85 36.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.954 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 540' ' ' ALA . . . . . 0.838 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -97.85 169.89 7.88 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.239 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 541' ' ' PRO . . . . . 0.798 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 73.3 Cg_endo -76.25 -21.88 13.2 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.553 2.169 . . . . 0.0 111.792 179.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -52.82 -49.01 66.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.83 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 148.69 -15.67 1.22 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.403 -0.904 . . . . 0.0 113.098 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 544' ' ' ARG . . . . . 0.5 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.29 152.29 50.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.0 0.429 . . . . 0.0 111.477 -179.76 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' W' W ' 545' ' ' THR . . . . . 0.652 HG22 ' HA ' ' W' ' 539' ' ' VAL . 0.8 OUTLIER -77.44 146.89 36.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.962 179.699 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' W' W ' 546' ' ' PHE . . . . . 0.838 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 7.6 p90 -121.21 167.67 12.44 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.145 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 547' ' ' PHE . . . . . 0.588 ' CE2' HD23 ' W' ' 531' ' ' LEU . 3.5 m-85 -108.33 126.5 52.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.079 0.466 . . . . 0.0 111.225 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 548' ' ' ILE . . . . . 0.582 HD11 ' HB2' ' W' ' 538' ' ' GLN . 3.1 mp -86.52 135.0 26.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.029 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 549' ' ' ASP . . . . . 0.479 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 41.3 t0 -115.02 106.5 14.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.656 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -76.43 -39.4 53.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.161 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -55.51 -28.23 53.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.182 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.92 -11.75 9.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.706 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 553' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' W' ' 549' ' ' ASP . 24.8 mmt85 65.21 37.76 6.34 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.763 0.316 . . . . 0.0 110.843 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -139.56 152.97 47.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 555' ' ' THR . . . . . 0.619 HG21 ' O ' ' P' ' 230' ' ' PRO . 60.6 p -103.76 168.83 8.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 556' ' ' THR . . . . . 0.629 ' HA ' HD21 ' P' ' 229' ' ' LEU . 1.5 t -158.86 157.01 30.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.055 0.455 . . . . 0.0 111.355 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 557' ' ' TRP . . . . . 0.5 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 17.3 m95 -80.63 -21.21 41.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.519 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 1.2 mt -103.58 143.52 15.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.92 0.39 . . . . 0.0 111.547 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 559' ' ' ASP . . . . . 0.429 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 3.0 p30 -87.91 145.82 37.41 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.981 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 560' ' ' PRO . . . . . 0.56 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 15.8 Cg_endo -84.6 -31.83 0.42 Allowed 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.565 2.177 . . . . 0.0 112.224 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.5 -23.32 6.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.047 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -137.93 -46.07 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.673 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.39 -179.725 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' P' P ' 229' ' ' LEU . . . . . 0.629 HD21 ' HA ' ' W' ' 556' ' ' THR . 16.0 tp 66.25 74.89 0.35 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.71 0.291 . . . . 0.0 111.076 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 230' ' ' PRO . . . . . 0.619 ' O ' HG21 ' W' ' 555' ' ' THR . 47.2 Cg_exo -55.82 95.08 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.579 2.186 . . . . 0.0 111.963 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.222 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 531' ' ' LEU . . . . . 0.86 HD22 ' HG3' ' W' ' 537' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.673 0 CA-C-O 120.677 0.275 . . . . 0.0 111.376 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 532' ' ' PRO . . . . . 0.463 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 53.8 Cg_exo -51.61 -175.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.521 2.147 . . . . 0.0 113.015 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 533' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 16.5 Cg_exo -72.19 -2.78 12.15 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 123.534 2.823 . . . . 0.0 115.048 -178.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 534' ' ' ARG . . . . . 0.445 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 13.6 mmt180 -149.14 39.77 0.85 Allowed 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 120.084 -0.647 . . . . 0.0 111.75 -178.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 535' ' ' TRP . . . . . 0.533 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 30.0 m95 -140.89 170.0 16.56 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.17 0.509 . . . . 0.0 112.097 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 536' ' ' SER . . . . . 0.844 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.1 OUTLIER -137.13 -158.88 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.29 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' W' W ' 537' ' ' MET . . . . . 0.86 ' HG3' HD22 ' W' ' 531' ' ' LEU . 20.0 mtp -159.15 132.33 7.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.925 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 538' ' ' GLN . . . . . 0.412 ' HG3' ' N ' ' W' ' 539' ' ' VAL . 0.4 OUTLIER -167.3 146.07 4.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.114 -179.839 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' W' W ' 539' ' ' VAL . . . . . 0.529 ' O ' HG13 ' W' ' 539' ' ' VAL . 7.6 p -88.31 111.76 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.622 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 540' ' ' ALA . . . . . 0.777 ' HB1' ' HD2' ' W' ' 541' ' ' PRO . . . -71.31 167.49 29.4 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.397 -179.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 541' ' ' PRO . . . . . 0.777 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 42.4 Cg_endo -67.51 -24.76 41.91 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.55 2.167 . . . . 0.0 111.673 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -52.68 -30.37 31.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.523 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 118.98 -10.42 11.99 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.025 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 544' ' ' ARG . . . . . 0.529 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 12.0 ptp180 -122.63 156.44 34.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.923 0.362 . . . . 0.0 111.075 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 545' ' ' THR . . . . . 0.435 ' HA ' ' HA ' ' W' ' 539' ' ' VAL . 1.2 p -80.98 145.44 31.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.797 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 546' ' ' PHE . . . . . 0.628 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 20.2 p90 -124.68 179.12 5.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.748 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 547' ' ' PHE . . . . . 0.522 ' CG ' ' HD3' ' W' ' 560' ' ' PRO . 0.7 OUTLIER -124.77 119.96 30.4 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.595 179.284 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' W' W ' 548' ' ' ILE . . . . . 0.461 ' CD1' ' HB3' ' W' ' 536' ' ' SER . 3.0 mt -78.97 136.49 23.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.512 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -106.21 103.23 12.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.09 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -71.57 -24.63 61.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.667 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -55.41 -37.33 67.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.9 15.83 3.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.504 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? 53.8 66.69 1.16 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.731 0.301 . . . . 0.0 111.04 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -146.79 -161.78 1.4 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.116 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 47.3 p -151.2 173.17 14.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.032 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 556' ' ' THR . . . . . 0.721 ' CA ' HD11 ' P' ' 229' ' ' LEU . 2.7 t -166.93 159.78 13.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.92 0.39 . . . . 0.0 111.482 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 557' ' ' TRP . . . . . 0.529 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 15.8 m95 -88.91 15.22 8.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.459 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.8 mm -130.92 138.64 53.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.003 0.43 . . . . 0.0 111.741 -178.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 559' ' ' ASP . . . . . 0.482 ' HA ' ' CD2' ' W' ' 547' ' ' PHE . 2.2 p30 -76.31 135.26 69.54 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.027 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 560' ' ' PRO . . . . . 0.533 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 74.1 Cg_endo -77.56 -30.75 3.76 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.595 2.197 . . . . 0.0 112.063 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.02 -28.04 35.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -135.87 -69.86 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 110.658 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.524 -179.895 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.609 -0.196 . . . . 0.0 112.609 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' P' P ' 229' ' ' LEU . . . . . 0.721 HD11 ' CA ' ' W' ' 556' ' ' THR . 18.2 tp 68.95 93.47 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.653 0.263 . . . . 0.0 110.888 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -57.31 -153.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.529 2.153 . . . . 0.0 111.869 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.349 . . . . 0.0 111.105 179.829 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' W' W ' 531' ' ' LEU . . . . . 0.72 HD23 ' CE2' ' W' ' 547' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.131 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 532' ' ' PRO . . . . . 0.484 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 85.6 Cg_exo -47.9 -179.29 0.01 OUTLIER 'Trans proline' 0 CA--C 1.531 0.361 0 C-N-CA 122.703 2.269 . . . . 0.0 113.329 -179.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 533' ' ' PRO . . . . . 0.484 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 87.1 Cg_exo -46.92 -44.09 23.21 Favored 'Trans proline' 0 CA--C 1.514 -0.501 0 C-N-CA 123.447 2.765 . . . . 0.0 114.946 -178.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 534' ' ' ARG . . . . . 0.47 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 17.2 mmm180 -122.8 65.87 0.96 Allowed 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.781 -178.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 535' ' ' TRP . . . . . 0.545 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 63.9 m95 -149.92 162.4 40.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.322 0.582 . . . . 0.0 112.273 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 536' ' ' SER . . . . . 0.684 ' HA ' HD13 ' W' ' 531' ' ' LEU . 3.8 m -154.66 -174.43 4.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.226 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 537' ' ' MET . . . . . 0.44 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 17.9 mtm -141.31 151.31 43.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.042 0.449 . . . . 0.0 111.402 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 538' ' ' GLN . . . . . 0.759 ' HB2' HD11 ' W' ' 548' ' ' ILE . 0.4 OUTLIER -165.41 138.54 4.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.494 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' W' W ' 539' ' ' VAL . . . . . 0.406 ' HA ' ' HA ' ' W' ' 545' ' ' THR . 13.3 p -78.48 139.97 17.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.884 0.374 . . . . 0.0 111.154 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 540' ' ' ALA . . . . . 0.864 ' HB1' ' HD2' ' W' ' 541' ' ' PRO . . . -110.19 171.49 4.34 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.176 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 541' ' ' PRO . . . . . 0.864 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 61.4 Cg_endo -73.39 -22.53 18.53 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.538 2.158 . . . . 0.0 111.824 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -51.79 -41.24 61.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.762 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 135.39 -12.55 4.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.593 -0.813 . . . . 0.0 113.009 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 544' ' ' ARG . . . . . 0.514 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 1.0 OUTLIER -131.24 158.12 41.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.97 0.414 . . . . 0.0 111.441 -179.841 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' W' W ' 545' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' W' ' 539' ' ' VAL . 0.2 OUTLIER -83.36 147.26 28.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.53 179.561 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' W' W ' 546' ' ' PHE . . . . . 0.817 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 4.2 p90 -119.61 -178.06 3.53 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.435 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 547' ' ' PHE . . . . . 0.72 ' CE2' HD23 ' W' ' 531' ' ' LEU . 1.4 m-85 -115.98 133.53 55.93 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.166 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 548' ' ' ILE . . . . . 0.759 HD11 ' HB2' ' W' ' 538' ' ' GLN . 4.1 mp -94.44 136.82 24.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.707 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 549' ' ' ASP . . . . . 0.421 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 28.5 t0 -115.71 112.88 22.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.969 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 550' ' ' HIS . . . . . 0.401 ' CD2' ' N ' ' W' ' 550' ' ' HIS . 6.5 m-70 -86.5 -27.63 23.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.746 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -55.88 -25.5 42.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.186 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 552' ' ' SER . . . . . 0.409 ' O ' ' HG3' ' W' ' 554' ' ' ARG . 0.3 OUTLIER -143.34 15.42 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.508 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? 49.21 72.25 0.31 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.837 0.351 . . . . 0.0 111.081 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 554' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' W' ' 552' ' ' SER . 2.9 mtt-85 -154.84 -167.51 2.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 555' ' ' THR . . . . . 0.429 HG21 ' O ' ' P' ' 230' ' ' PRO . 74.7 p -150.38 169.86 20.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.858 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 556' ' ' THR . . . . . 0.598 ' CA ' HD11 ' P' ' 229' ' ' LEU . 1.8 t -162.23 162.81 28.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.973 0.416 . . . . 0.0 111.198 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 557' ' ' TRP . . . . . 0.514 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 14.6 m95 -87.23 -19.62 28.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.811 -179.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.0 mm -109.57 139.33 33.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.979 0.418 . . . . 0.0 111.519 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 559' ' ' ASP . . . . . 0.436 ' HA ' ' HD3' ' W' ' 560' ' ' PRO . 0.8 OUTLIER -74.42 141.51 76.9 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.118 -179.588 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' W' W ' 560' ' ' PRO . . . . . 0.545 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 34.5 Cg_endo -86.19 -20.7 2.71 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 122.662 2.241 . . . . 0.0 112.233 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -49.41 -27.25 3.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.061 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -158.96 -43.01 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.733 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' P' P ' 229' ' ' LEU . . . . . 0.598 HD11 ' CA ' ' W' ' 556' ' ' THR . 16.7 tp 70.35 75.29 0.25 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 120.731 0.3 . . . . 0.0 111.289 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 230' ' ' PRO . . . . . 0.429 ' O ' HG21 ' W' ' 555' ' ' THR . 26.2 Cg_exo -62.29 113.13 1.78 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.671 2.247 . . . . 0.0 111.93 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.394 0 CA-C-O 120.981 0.42 . . . . 0.0 111.127 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' W' W ' 531' ' ' LEU . . . . . 0.619 HD13 ' HA ' ' W' ' 536' ' ' SER . 0.5 OUTLIER . . . . . 0 CA--C 1.531 0.227 0 CA-C-O 120.455 0.169 . . . . 0.0 110.767 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 532' ' ' PRO . . . . . 0.531 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 88.5 Cg_exo -47.37 179.22 0.01 OUTLIER 'Trans proline' 0 CA--C 1.532 0.424 0 C-N-CA 122.77 2.313 . . . . 0.0 112.62 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 533' ' ' PRO . . . . . 0.531 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 35.2 Cg_exo -35.85 -62.17 0.25 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.388 2.725 . . . . 0.0 114.602 -178.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 534' ' ' ARG . . . . . 0.48 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 19.8 mmt85 -115.69 71.92 0.79 Allowed 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.547 -179.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 535' ' ' TRP . . . . . 0.572 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 87.0 m95 -157.48 151.49 24.49 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.845 -179.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 536' ' ' SER . . . . . 0.619 ' HA ' HD13 ' W' ' 531' ' ' LEU . 3.4 m -147.81 -173.76 4.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.286 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 537' ' ' MET . . . . . 0.448 ' SD ' ' CE1' ' W' ' 547' ' ' PHE . 0.2 OUTLIER -143.53 127.73 17.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.95 0.405 . . . . 0.0 110.965 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' W' W ' 538' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -140.41 143.85 35.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.927 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' W' W ' 539' ' ' VAL . . . . . 0.463 ' HA ' HG22 ' W' ' 545' ' ' THR . 5.6 p -88.46 129.12 40.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.953 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 540' ' ' ALA . . . . . 0.874 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -102.56 172.59 4.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.22 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 541' ' ' PRO . . . . . 0.826 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 73.0 Cg_endo -76.63 -22.18 12.28 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.64 2.227 . . . . 0.0 112.054 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -50.03 -40.83 46.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.791 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 136.38 -14.16 3.99 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.979 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' W' W ' 544' ' ' ARG . . . . . 0.523 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 11.1 ptp180 -130.9 156.87 44.33 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.898 0.38 . . . . 0.0 111.264 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 545' ' ' THR . . . . . 0.463 HG22 ' HA ' ' W' ' 539' ' ' VAL . 0.8 OUTLIER -80.89 146.94 30.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.05 179.845 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' W' W ' 546' ' ' PHE . . . . . 0.874 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 7.9 p90 -125.93 158.7 34.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.198 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 547' ' ' PHE . . . . . 0.516 ' CE1' ' HB3' ' W' ' 559' ' ' ASP . 2.3 m-85 -93.48 157.2 16.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.253 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 548' ' ' ILE . . . . . 0.657 HG12 HG22 ' W' ' 555' ' ' THR . 10.8 mt -125.1 107.22 17.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.755 0.312 . . . . 0.0 111.455 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 549' ' ' ASP . . . . . 0.505 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 31.3 t0 -76.19 109.47 9.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.807 179.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 550' ' ' HIS . . . . . 0.411 ' CB ' ' HD3' ' W' ' 534' ' ' ARG . 22.4 m-70 -72.53 -15.8 61.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.382 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.64 -48.3 72.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.799 0.333 . . . . 0.0 111.034 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.05 17.68 10.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.203 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 48.86 51.08 16.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.827 0.346 . . . . 0.0 111.031 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -120.81 173.02 7.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.535 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' W' W ' 555' ' ' THR . . . . . 0.815 ' O ' HD21 ' P' ' 229' ' ' LEU . 27.0 p -135.52 152.02 50.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.038 0.447 . . . . 0.0 112.011 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 556' ' ' THR . . . . . 0.648 ' N ' HD11 ' P' ' 229' ' ' LEU . 2.5 t -147.87 158.14 43.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.813 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 557' ' ' TRP . . . . . 0.523 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 17.3 m95 -80.23 -11.56 59.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.96 -179.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 558' ' ' ILE . . . . . 0.401 HG22 ' N ' ' W' ' 559' ' ' ASP . 5.3 mm -112.89 154.17 14.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.063 0.459 . . . . 0.0 111.875 -179.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 559' ' ' ASP . . . . . 0.516 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 2.3 p30 -95.66 144.0 27.08 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.227 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 560' ' ' PRO . . . . . 0.572 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 28.3 Cg_endo -86.09 -25.16 1.49 Allowed 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.574 2.183 . . . . 0.0 112.21 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.33 -23.56 9.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.94 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -149.77 -50.59 0.14 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.491 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.388 -179.902 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.448 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' P' P ' 229' ' ' LEU . . . . . 0.815 HD21 ' O ' ' W' ' 555' ' ' THR . 4.3 tp 58.31 78.38 0.36 Allowed Pre-proline 0 C--N 1.327 -0.39 0 CA-C-O 120.695 0.283 . . . . 0.0 111.066 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -46.76 115.61 1.31 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.235 1.957 . . . . 0.0 111.752 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 93.7 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.379 -179.464 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' W' W ' 531' ' ' LEU . . . . . 0.725 HD13 ' O ' ' W' ' 535' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.467 0.408 0 CA-C-O 120.714 0.292 . . . . 0.0 111.781 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 532' ' ' PRO . . . . . 0.479 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 74.1 Cg_exo -50.26 -173.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.756 2.304 . . . . 0.0 113.11 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 533' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 22.4 Cg_exo -68.92 -12.0 33.28 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.394 2.729 . . . . 0.0 115.12 -178.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 534' ' ' ARG . . . . . 0.434 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 18.6 mmt85 -142.59 44.17 1.62 Allowed 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.412 -0.515 . . . . 0.0 111.892 -178.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 535' ' ' TRP . . . . . 0.725 ' O ' HD13 ' W' ' 531' ' ' LEU . 33.9 m95 -140.61 170.0 16.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.154 0.502 . . . . 0.0 112.312 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 536' ' ' SER . . . . . 0.427 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.1 OUTLIER -138.44 -159.96 1.01 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.54 179.849 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' W' W ' 537' ' ' MET . . . . . . . . . . . . . 64.2 mtp -149.77 120.31 7.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.555 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' W' W ' 538' ' ' GLN . . . . . 0.457 ' HB3' HD11 ' W' ' 548' ' ' ILE . 0.8 OUTLIER -148.89 138.47 21.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.958 0.409 . . . . 0.0 111.282 -179.614 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' W' W ' 539' ' ' VAL . . . . . 0.887 HG22 ' CG2' ' W' ' 545' ' ' THR . 26.0 t -82.71 130.56 35.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.66 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 540' ' ' ALA . . . . . 0.744 ' HB2' ' CD1' ' W' ' 546' ' ' PHE . . . -95.43 155.16 39.03 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.35 -179.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.55 -21.01 70.54 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.577 2.185 . . . . 0.0 112.039 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' W' W ' 542' ' ' ASN . . . . . 0.449 ' ND2' ' NE ' ' W' ' 544' ' ' ARG . 40.2 t30 -54.24 -43.09 70.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.686 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 137.18 -11.51 3.85 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.052 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' W' W ' 544' ' ' ARG . . . . . 0.508 ' HG2' ' CE3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -128.26 144.77 51.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.911 0.386 . . . . 0.0 111.324 -179.845 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' W' W ' 545' ' ' THR . . . . . 0.887 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.2 OUTLIER -69.92 146.28 51.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.294 179.329 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' W' W ' 546' ' ' PHE . . . . . 0.744 ' CD1' ' HB2' ' W' ' 540' ' ' ALA . 25.2 p90 -124.14 173.48 8.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 547' ' ' PHE . . . . . 0.505 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.5 OUTLIER -117.35 122.58 44.26 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.008 179.815 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' W' W ' 548' ' ' ILE . . . . . 0.457 HD11 ' HB3' ' W' ' 538' ' ' GLN . 2.8 mp -83.09 142.39 13.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.873 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 549' ' ' ASP . . . . . 0.484 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 23.1 t70 -116.6 117.94 31.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.726 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 550' ' ' HIS . . . . . 0.424 ' CD2' ' N ' ' W' ' 550' ' ' HIS . 6.3 m170 -81.56 -30.47 33.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.062 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -49.02 -40.03 29.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.25 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.22 2.08 4.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.84 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 64.37 56.3 1.31 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.816 0.341 . . . . 0.0 111.07 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 62.1 mtm180 -134.43 -163.43 1.37 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.664 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' W' W ' 555' ' ' THR . . . . . 0.528 ' OG1' HD21 ' P' ' 229' ' ' LEU . 19.3 p -156.03 177.48 11.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.064 0.459 . . . . 0.0 111.479 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 556' ' ' THR . . . . . 0.461 ' N ' HD21 ' P' ' 229' ' ' LEU . 0.8 OUTLIER -167.46 160.17 12.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.998 179.731 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' W' W ' 557' ' ' TRP . . . . . 0.508 ' CE3' ' HG2' ' W' ' 544' ' ' ARG . 20.7 m95 -83.45 9.87 10.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.849 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.3 mm -132.14 148.11 32.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.885 0.374 . . . . 0.0 111.27 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' W' W ' 559' ' ' ASP . . . . . 0.426 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 0.8 OUTLIER -89.67 112.32 51.17 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.433 -179.42 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' W' W ' 560' ' ' PRO . . . . . 0.55 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 9.7 Cg_endo -54.16 -31.01 63.6 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.268 1.979 . . . . 0.0 111.651 179.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 561' ' ' ARG . . . . . 0.456 ' HD3' ' HA ' ' W' ' 531' ' ' LEU . 0.5 OUTLIER -64.91 -19.59 66.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.092 179.835 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -134.41 -69.16 0.53 Allowed 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.738 0.304 . . . . 0.0 110.977 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' W' W ' 563' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' W' ' 559' ' ' ASP . . . . . . . . 0 N--CA 1.45 -0.425 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.588 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.584 -0.207 . . . . 0.0 112.584 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' P' P ' 229' ' ' LEU . . . . . 0.613 HD12 ' HD2' ' P' ' 230' ' ' PRO . 31.5 tp -90.65 110.44 41.37 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.48 0.181 . . . . 0.0 110.9 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 230' ' ' PRO . . . . . 0.613 ' HD2' HD12 ' P' ' 229' ' ' LEU . 67.3 Cg_exo -39.94 -34.34 0.89 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.679 2.253 . . . . 0.0 112.489 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 231' ' ' SER . . . . . 0.405 ' HA ' ' OG1' ' W' ' 555' ' ' THR . 4.2 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.217 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' W' W ' 531' ' ' LEU . . . . . 0.617 HD13 ' HA ' ' W' ' 536' ' ' SER . 0.9 OUTLIER . . . . . 0 CA--C 1.529 0.171 0 N-CA-C 110.508 -0.182 . . . . 0.0 110.508 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 532' ' ' PRO . . . . . 0.516 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 53.3 Cg_exo -44.71 174.63 0.01 OUTLIER 'Trans proline' 0 CA--C 1.533 0.469 0 C-N-CA 122.854 2.369 . . . . 0.0 113.094 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 533' ' ' PRO . . . . . 0.516 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 59.3 Cg_exo -36.2 -59.34 0.42 Allowed 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.534 2.822 . . . . 0.0 115.068 -178.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 534' ' ' ARG . . . . . 0.475 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 7.5 mmm180 -116.67 69.87 0.76 Allowed 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.31 -178.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 535' ' ' TRP . . . . . 0.53 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 93.6 m95 -157.78 128.26 6.34 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.531 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 536' ' ' SER . . . . . 0.617 ' HA ' HD13 ' W' ' 531' ' ' LEU . 2.6 m -119.3 -173.54 2.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.81 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 537' ' ' MET . . . . . 0.456 ' HG2' ' CE1' ' W' ' 547' ' ' PHE . 45.9 mtm -133.65 144.54 49.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.689 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 538' ' ' GLN . . . . . 0.473 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 2.0 tp-100 -163.26 129.09 3.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.054 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 539' ' ' VAL . . . . . 0.546 ' HA ' HG22 ' W' ' 545' ' ' THR . 8.1 p -79.89 130.13 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.016 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 540' ' ' ALA . . . . . 0.835 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -102.22 160.91 24.96 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.355 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -64.55 -25.57 62.44 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.668 2.245 . . . . 0.0 111.24 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -49.41 -26.25 3.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.678 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 115.99 -8.85 18.65 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.882 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' W' W ' 544' ' ' ARG . . . . . 0.511 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.43 156.31 45.82 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.996 0.427 . . . . 0.0 111.192 -179.875 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' W' W ' 545' ' ' THR . . . . . 0.546 HG22 ' HA ' ' W' ' 539' ' ' VAL . 0.7 OUTLIER -85.34 146.65 26.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.785 179.668 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' W' W ' 546' ' ' PHE . . . . . 0.835 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 4.0 p90 -119.44 -175.96 3.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.04 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 547' ' ' PHE . . . . . 0.512 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.6 OUTLIER -125.63 129.32 49.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.428 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' W' W ' 548' ' ' ILE . . . . . 0.61 HG13 HG22 ' W' ' 555' ' ' THR . 3.0 mp -91.33 117.19 34.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.465 -179.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 549' ' ' ASP . . . . . 0.414 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 36.6 t0 -89.73 95.92 10.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.736 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -62.02 -32.68 73.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.146 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -57.48 -49.47 76.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.414 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.23 -6.19 28.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.772 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 64.91 48.87 2.25 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.867 0.365 . . . . 0.0 110.817 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -143.05 -162.5 1.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' W' W ' 555' ' ' THR . . . . . 0.864 ' O ' HD21 ' P' ' 229' ' ' LEU . 45.1 p -145.72 157.12 43.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.085 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 556' ' ' THR . . . . . 0.506 HG23 ' H ' ' W' ' 558' ' ' ILE . 15.1 t -146.87 164.07 34.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 557' ' ' TRP . . . . . 0.511 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 36.5 m95 -92.78 17.69 10.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.288 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 558' ' ' ILE . . . . . 0.506 ' H ' HG23 ' W' ' 556' ' ' THR . 5.2 mm -133.43 147.42 31.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.849 0.357 . . . . 0.0 111.369 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 559' ' ' ASP . . . . . 0.502 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 9.2 p30 -104.33 118.06 57.71 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.915 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 560' ' ' PRO . . . . . 0.53 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 10.6 Cg_endo -56.98 -25.53 63.3 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.5 2.133 . . . . 0.0 112.812 -179.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 561' ' ' ARG . . . . . 0.444 ' CG ' ' HB2' ' W' ' 559' ' ' ASP . 0.1 OUTLIER -50.31 -37.72 37.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.153 -179.657 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -149.57 20.85 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.368 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.282 0 C-N-CA 120.883 -0.675 . . . . 0.0 113.006 179.736 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.362 0 CA-C-O 120.368 -0.129 . . . . 0.0 113.133 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' P' P ' 229' ' ' LEU . . . . . 0.864 HD21 ' O ' ' W' ' 555' ' ' THR . 4.2 tp -48.9 102.9 0.33 Allowed Pre-proline 0 CA--C 1.529 0.14 0 CA-C-N 116.855 0.328 . . . . 0.0 111.217 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -66.36 101.9 0.55 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.59 2.193 . . . . 0.0 111.898 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 68.8 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.178 -179.698 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' W' W ' 531' ' ' LEU . . . . . 0.853 HD21 ' HG2' ' W' ' 537' ' ' MET . 1.5 mt . . . . . 0 CA--C 1.529 0.138 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 532' ' ' PRO . . . . . 0.547 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 80.3 Cg_exo -47.49 -179.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.799 2.333 . . . . 0.0 112.907 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 533' ' ' PRO . . . . . 0.547 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 20.5 Cg_exo -36.93 -57.52 0.64 Allowed 'Trans proline' 0 CA--C 1.515 -0.473 0 C-N-CA 123.518 2.812 . . . . 0.0 114.991 -178.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 534' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -123.26 71.07 1.05 Allowed 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.966 -178.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 535' ' ' TRP . . . . . 0.577 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 71.0 m95 -150.9 162.44 40.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.368 0.604 . . . . 0.0 112.513 -179.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 536' ' ' SER . . . . . 0.705 ' CA ' HD22 ' W' ' 531' ' ' LEU . 16.6 m -162.61 -171.69 2.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.696 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 537' ' ' MET . . . . . 0.853 ' HG2' HD21 ' W' ' 531' ' ' LEU . 0.0 OUTLIER -155.05 138.72 16.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.094 0.473 . . . . 0.0 111.559 179.66 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' W' W ' 538' ' ' GLN . . . . . 0.786 ' HB2' HD11 ' W' ' 548' ' ' ILE . 0.9 OUTLIER -146.37 149.6 34.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.537 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' W' W ' 539' ' ' VAL . . . . . 0.848 HG22 ' CG2' ' W' ' 545' ' ' THR . 19.7 t -79.41 137.56 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.098 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 540' ' ' ALA . . . . . 0.944 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -110.03 170.93 4.82 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.311 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 541' ' ' PRO . . . . . 0.834 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 60.8 Cg_endo -73.3 -23.23 17.95 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.651 2.234 . . . . 0.0 112.06 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -51.82 -41.26 61.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.775 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 134.44 -11.24 4.66 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.964 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 544' ' ' ARG . . . . . 0.522 ' HG3' ' CE3' ' W' ' 557' ' ' TRP . 0.3 OUTLIER -130.75 156.65 44.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.879 0.371 . . . . 0.0 111.14 -179.848 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' W' W ' 545' ' ' THR . . . . . 0.848 ' CG2' HG22 ' W' ' 539' ' ' VAL . 2.0 p -79.59 146.83 32.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 546' ' ' PHE . . . . . 0.944 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 9.1 p90 -126.29 153.54 44.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 547' ' ' PHE . . . . . 0.805 ' CE2' HD23 ' W' ' 531' ' ' LEU . 1.9 m-85 -94.01 132.29 38.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.962 0.41 . . . . 0.0 110.952 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 548' ' ' ILE . . . . . 0.786 HD11 ' HB2' ' W' ' 538' ' ' GLN . 3.4 mp -89.45 130.09 39.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 549' ' ' ASP . . . . . 0.479 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 38.1 t0 -107.47 109.7 21.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.777 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -84.94 -25.18 28.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.988 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -56.4 -42.07 77.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.009 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.46 -5.51 10.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.63 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 70.89 58.07 0.21 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.797 0.332 . . . . 0.0 110.892 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -144.26 -163.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.769 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 555' ' ' THR . . . . . 0.409 HG22 ' HA ' ' W' ' 548' ' ' ILE . 68.8 p -152.53 169.2 23.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.159 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 2.6 t -160.66 162.24 32.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.107 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 557' ' ' TRP . . . . . 0.522 ' CE3' ' HG3' ' W' ' 544' ' ' ARG . 14.7 m95 -83.59 -19.66 35.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.578 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 4.9 mm -110.74 145.83 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.93 0.395 . . . . 0.0 111.434 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 559' ' ' ASP . . . . . 0.509 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 9.7 p30 -82.81 145.51 50.4 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.298 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 560' ' ' PRO . . . . . 0.577 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 59.0 Cg_endo -91.55 10.94 2.55 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 122.991 2.461 . . . . 0.0 112.532 179.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.01 18.37 21.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.114 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 7.5 p30 177.61 -46.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.065 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.682 179.9 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' P' P ' 229' ' ' LEU . . . . . 0.407 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 0.4 OUTLIER -112.27 93.88 24.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.706 0.289 . . . . 0.0 110.884 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -58.95 102.66 0.15 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.564 2.176 . . . . 0.0 112.047 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 10.1 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.128 -179.831 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' W' W ' 531' ' ' LEU . . . . . 0.962 HD21 ' HG3' ' W' ' 537' ' ' MET . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.116 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 532' ' ' PRO . . . . . 0.461 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 71.1 Cg_exo -49.71 -174.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.442 2.095 . . . . 0.0 113.17 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 533' ' ' PRO . . . . . 0.461 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 22.0 Cg_exo -68.1 -4.74 13.16 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 123.254 2.636 . . . . 0.0 115.232 -177.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 534' ' ' ARG . . . . . 0.427 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 27.2 mmt85 -149.93 42.37 0.86 Allowed 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 120.142 -0.623 . . . . 0.0 111.713 -179.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 535' ' ' TRP . . . . . 0.515 ' CE2' ' HG3' ' W' ' 560' ' ' PRO . 37.9 m95 -140.36 168.14 20.51 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.422 0.63 . . . . 0.0 112.549 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 536' ' ' SER . . . . . 0.811 ' CA ' HD22 ' W' ' 531' ' ' LEU . 0.4 OUTLIER -155.14 -163.39 1.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.444 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' W' W ' 537' ' ' MET . . . . . 0.962 ' HG3' HD21 ' W' ' 531' ' ' LEU . 12.9 mtm -133.32 149.51 51.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 538' ' ' GLN . . . . . 0.572 ' HB2' HD11 ' W' ' 548' ' ' ILE . 1.6 tp60 -169.06 129.84 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.799 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 539' ' ' VAL . . . . . 0.667 HG22 ' CG2' ' W' ' 545' ' ' THR . 22.3 t -81.14 133.74 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.984 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 540' ' ' ALA . . . . . 0.778 ' HB2' ' CD1' ' W' ' 546' ' ' PHE . . . -104.07 151.49 38.98 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.194 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -59.46 -26.03 80.59 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.597 2.198 . . . . 0.0 111.688 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -49.63 -39.15 34.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.705 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 129.06 -6.1 6.41 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.739 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' W' W ' 544' ' ' ARG . . . . . 0.517 ' CD ' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.94 145.43 51.49 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.872 0.367 . . . . 0.0 111.118 -179.875 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' W' W ' 545' ' ' THR . . . . . 0.667 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.2 OUTLIER -72.29 146.16 47.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.425 179.306 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' W' W ' 546' ' ' PHE . . . . . 0.778 ' CD1' ' HB2' ' W' ' 540' ' ' ALA . 14.0 p90 -122.01 159.21 27.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.092 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 547' ' ' PHE . . . . . 0.589 ' CE2' HD23 ' W' ' 531' ' ' LEU . 0.5 OUTLIER -103.3 125.73 50.09 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.264 -179.674 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' W' W ' 548' ' ' ILE . . . . . 0.572 HD11 ' HB2' ' W' ' 538' ' ' GLN . 3.1 mt -83.74 149.48 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.753 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -127.31 106.27 9.1 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.165 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -75.99 -26.1 56.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.791 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -52.16 -32.65 36.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.657 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' W' W ' 552' ' ' SER . . . . . 0.403 ' O ' ' HG3' ' W' ' 554' ' ' ARG . 0.2 OUTLIER -137.6 13.36 2.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.166 179.735 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 9.0 mmt85 52.4 63.32 2.29 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.669 0.271 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' W' W ' 554' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' W' ' 552' ' ' SER . 29.2 mtp85 -147.15 -167.23 2.72 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.821 0.343 . . . . 0.0 111.456 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 555' ' ' THR . . . . . 0.402 ' OG1' ' HA ' ' P' ' 231' ' ' SER . 81.7 p -143.88 -175.8 4.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 556' ' ' THR . . . . . 0.464 ' HA ' HD21 ' P' ' 229' ' ' LEU . 0.9 OUTLIER -178.51 161.6 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.259 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' W' W ' 557' ' ' TRP . . . . . 0.579 ' CD2' HD13 ' P' ' 229' ' ' LEU . 19.1 m95 -85.56 11.47 10.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.756 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.4 mm -130.19 149.43 33.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.976 0.417 . . . . 0.0 111.697 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' W' W ' 559' ' ' ASP . . . . . 0.49 ' HB3' ' CD1' ' W' ' 547' ' ' PHE . 2.0 p30 -105.56 118.88 54.43 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.987 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 560' ' ' PRO . . . . . 0.515 ' HG3' ' CE2' ' W' ' 535' ' ' TRP . 9.0 Cg_endo -52.93 -35.25 70.25 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.23 1.953 . . . . 0.0 112.016 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -31.47 11.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.975 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 562' ' ' ASN . . . . . 0.42 ' ND2' ' OD1' ' W' ' 559' ' ' ASP . 4.4 m-80 -131.86 -66.03 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.363 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.729 -0.149 . . . . 0.0 112.729 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' P' P ' 229' ' ' LEU . . . . . 0.579 HD13 ' CD2' ' W' ' 557' ' ' TRP . 13.8 tp -113.02 82.02 5.04 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.69 0.281 . . . . 0.0 111.003 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_exo -44.34 100.8 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.624 2.216 . . . . 0.0 112.306 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 231' ' ' SER . . . . . 0.402 ' HA ' ' OG1' ' W' ' 555' ' ' THR . 2.0 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.265 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' W' W ' 531' ' ' LEU . . . . . 0.753 HD13 ' HA ' ' W' ' 536' ' ' SER . 4.3 mt . . . . . 0 CA--C 1.529 0.165 0 N-CA-C 110.421 -0.214 . . . . 0.0 110.421 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' W' W ' 532' ' ' PRO . . . . . 0.466 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 71.1 Cg_exo -49.76 -174.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.525 2.15 . . . . 0.0 113.348 -179.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 533' ' ' PRO . . . . . 0.466 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 24.6 Cg_exo -66.41 -12.84 37.38 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.323 2.682 . . . . 0.0 115.208 -178.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 534' ' ' ARG . . . . . 0.436 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 19.7 mmt85 -142.84 44.13 1.59 Allowed 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 120.261 -0.576 . . . . 0.0 111.825 -178.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 535' ' ' TRP . . . . . 0.534 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 43.0 m95 -140.94 167.89 21.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.337 0.589 . . . . 0.0 112.531 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 536' ' ' SER . . . . . 0.753 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.1 OUTLIER -146.54 -157.31 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.43 -179.893 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' W' W ' 537' ' ' MET . . . . . 0.447 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 28.2 mtm -147.36 144.38 28.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.842 0.353 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 538' ' ' GLN . . . . . 0.404 ' O ' ' CD1' ' W' ' 546' ' ' PHE . 1.9 tp-100 -165.62 133.35 2.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.136 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 539' ' ' VAL . . . . . 0.592 HG22 ' CG2' ' W' ' 545' ' ' THR . 2.8 t -82.08 135.58 24.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.687 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 540' ' ' ALA . . . . . 0.877 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -108.89 158.59 33.75 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.286 -179.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 541' ' ' PRO . . . . . 0.462 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 36.7 Cg_endo -65.12 -21.76 62.43 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.479 2.12 . . . . 0.0 111.829 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -49.63 -43.4 46.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.833 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 137.91 -14.09 3.59 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.688 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' W' W ' 544' ' ' ARG . . . . . 0.509 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.58 157.11 44.49 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.993 0.425 . . . . 0.0 111.272 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' W' W ' 545' ' ' THR . . . . . 0.592 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.6 OUTLIER -79.09 146.15 33.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.224 179.418 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' W' W ' 546' ' ' PHE . . . . . 0.877 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 9.2 p90 -118.06 173.23 6.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.024 0.44 . . . . 0.0 111.33 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 547' ' ' PHE . . . . . 0.495 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.6 OUTLIER -116.42 127.49 54.65 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.196 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' W' W ' 548' ' ' ILE . . . . . 0.621 HG13 HG22 ' W' ' 555' ' ' THR . 2.7 mp -87.22 145.74 7.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.443 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -122.9 109.12 13.75 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.954 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -73.18 -32.46 64.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.973 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -49.78 -48.16 50.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.016 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.5 -1.95 14.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.606 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 62.89 62.53 1.04 Allowed 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.661 0.267 . . . . 0.0 110.911 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -150.32 -167.52 2.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.017 0.436 . . . . 0.0 111.275 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' W' W ' 555' ' ' THR . . . . . 0.782 ' OG1' HD11 ' P' ' 229' ' ' LEU . 37.5 p -140.77 176.56 8.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 556' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' W' ' 546' ' ' PHE . 0.2 OUTLIER -170.29 165.87 8.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.433 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' W' W ' 557' ' ' TRP . . . . . 0.509 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 20.0 m95 -92.09 19.55 6.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.308 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.3 mm -132.55 149.48 32.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.977 0.418 . . . . 0.0 111.646 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' W' W ' 559' ' ' ASP . . . . . 0.482 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 12.3 p30 -104.53 113.4 65.08 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.811 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 560' ' ' PRO . . . . . 0.534 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 5.3 Cg_endo -50.91 -26.92 19.33 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.286 1.991 . . . . 0.0 112.278 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 561' ' ' ARG . . . . . 0.43 ' CG ' ' HB2' ' W' ' 559' ' ' ASP . 0.3 OUTLIER -61.97 -23.2 66.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.995 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' W' W ' 562' ' ' ASN . . . . . 0.407 ' ND2' ' OD2' ' W' ' 559' ' ' ASP . 5.5 m-20 -132.99 -60.14 0.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.716 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.597 179.938 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' P' P ' 229' ' ' LEU . . . . . 0.782 HD11 ' OG1' ' W' ' 555' ' ' THR . 1.7 tm? -99.0 106.55 38.74 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.541 0.21 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -70.16 109.3 2.35 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.638 2.225 . . . . 0.0 111.912 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 88.1 p . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 -179.73 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' W' W ' 531' ' ' LEU . . . . . 0.614 HD13 ' HA ' ' W' ' 536' ' ' SER . 1.4 mt . . . . . 0 CA--C 1.531 0.225 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' W' W ' 532' ' ' PRO . . . . . 0.467 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 75.7 Cg_exo -49.64 -174.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.483 2.122 . . . . 0.0 113.397 -179.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' W' W ' 533' ' ' PRO . . . . . 0.467 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 23.8 Cg_exo -67.36 -12.66 36.62 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.45 2.767 . . . . 0.0 115.122 -178.082 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' W' W ' 534' ' ' ARG . . . . . 0.438 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 24.3 mmt180 -141.89 42.05 1.69 Allowed 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 120.341 -0.544 . . . . 0.0 111.754 -178.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' W' W ' 535' ' ' TRP . . . . . 0.545 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 39.6 m95 -140.59 169.1 18.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.272 0.558 . . . . 0.0 112.337 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' W' W ' 536' ' ' SER . . . . . 0.614 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.1 OUTLIER -147.12 -159.37 1.02 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.65 -179.842 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' W' W ' 537' ' ' MET . . . . . 0.404 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 15.8 mtp -144.32 140.8 29.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.634 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' W' W ' 538' ' ' GLN . . . . . 0.465 ' O ' ' CD1' ' W' ' 546' ' ' PHE . 46.0 tt0 -165.71 136.27 3.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.237 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' W' W ' 539' ' ' VAL . . . . . 0.638 HG22 ' CG2' ' W' ' 545' ' ' THR . 4.8 t -84.39 127.32 39.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.745 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' W' W ' 540' ' ' ALA . . . . . 0.559 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -92.81 151.44 40.84 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.428 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' W' W ' 541' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' P' ' 230' ' ' PRO . 19.7 Cg_endo -58.3 -22.64 58.7 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.547 2.165 . . . . 0.0 111.78 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -54.56 -29.95 52.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.685 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 120.55 -4.36 12.03 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.765 -0.731 . . . . 0.0 113.005 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' W' W ' 544' ' ' ARG . . . . . 0.518 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.7 OUTLIER -131.18 157.01 44.34 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.012 0.434 . . . . 0.0 111.18 -179.862 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' W' W ' 545' ' ' THR . . . . . 0.638 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.2 OUTLIER -84.38 146.5 27.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.661 179.479 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' W' W ' 546' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 5.3 p90 -121.6 -179.36 4.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.012 0.434 . . . . 0.0 111.233 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' W' W ' 547' ' ' PHE . . . . . 0.489 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.5 OUTLIER -124.17 118.84 27.78 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.677 179.762 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' W' W ' 548' ' ' ILE . . . . . 0.548 ' HA ' HG22 ' W' ' 555' ' ' THR . 3.2 mt -79.93 147.06 6.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.395 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -126.87 115.76 19.8 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.877 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -81.39 -30.48 33.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.057 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -50.6 -37.57 40.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.11 -4.21 7.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.529 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 65.81 59.83 0.72 Allowed 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.637 0.256 . . . . 0.0 110.811 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 53.5 mtm180 -149.76 -166.8 2.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.257 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' W' W ' 555' ' ' THR . . . . . 0.548 HG22 ' HA ' ' W' ' 548' ' ' ILE . 53.2 p -143.76 178.72 7.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -171.89 166.12 6.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.342 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' W' W ' 557' ' ' TRP . . . . . 0.518 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 24.0 m95 -92.0 19.78 6.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.508 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' W' W ' 558' ' ' ILE . . . . . 0.422 ' CG2' ' HA2' ' W' ' 563' ' ' GLY . 5.7 mm -133.26 141.8 43.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.048 0.451 . . . . 0.0 112.048 -178.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' W' W ' 559' ' ' ASP . . . . . 0.421 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 3.4 m-20 -91.82 110.1 41.42 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.79 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' W' W ' 560' ' ' PRO . . . . . 0.545 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 5.2 Cg_endo -51.5 -25.76 20.1 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.073 1.849 . . . . 0.0 111.832 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -22.25 66.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.918 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -138.51 -69.21 0.44 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.665 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' W' W ' 563' ' ' GLY . . . . . 0.422 ' HA2' ' CG2' ' W' ' 558' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.51 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.577 -0.209 . . . . 0.0 112.577 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' P' P ' 229' ' ' LEU . . . . . 0.497 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 0.9 OUTLIER -101.75 104.37 34.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.501 0.191 . . . . 0.0 111.03 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' P' P ' 230' ' ' PRO . . . . . 0.424 ' CG ' ' HD2' ' W' ' 541' ' ' PRO . 22.7 Cg_exo -64.08 96.05 0.21 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.43 2.087 . . . . 0.0 111.698 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 16.5 p . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.478 -179.526 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' W' W ' 531' ' ' LEU . . . . . 0.702 HD13 ' HA ' ' W' ' 536' ' ' SER . 3.9 mt . . . . . 0 C--O 1.231 0.1 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' W' W ' 532' ' ' PRO . . . . . 0.491 ' HB2' ' CD1' ' W' ' 535' ' ' TRP . 77.4 Cg_exo -49.69 -176.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.329 2.02 . . . . 0.0 112.942 -179.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' W' W ' 533' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 19.0 Cg_exo -70.03 -2.47 10.43 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 123.26 2.64 . . . . 0.0 115.142 -177.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' W' W ' 534' ' ' ARG . . . . . 0.431 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 16.2 mmt180 -150.5 39.52 0.73 Allowed 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 120.089 -0.645 . . . . 0.0 111.709 -179.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' W' W ' 535' ' ' TRP . . . . . 0.545 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 31.9 m95 -138.82 169.66 17.4 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' W' W ' 536' ' ' SER . . . . . 0.702 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.1 OUTLIER -144.12 -158.5 0.89 Allowed 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.44 -179.884 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' W' W ' 537' ' ' MET . . . . . 0.441 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 34.5 mtp -143.5 145.75 32.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.607 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' W' W ' 538' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -169.2 134.1 1.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 0.0 111.408 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' W' W ' 539' ' ' VAL . . . . . 0.653 HG22 ' CG2' ' W' ' 545' ' ' THR . 11.7 t -85.67 125.62 40.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.577 179.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' W' W ' 540' ' ' ALA . . . . . 0.775 ' HB2' ' CD1' ' W' ' 546' ' ' PHE . . . -96.73 148.68 34.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.567 -179.203 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -56.69 -24.38 54.42 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.602 2.201 . . . . 0.0 111.723 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -48.09 -44.65 31.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.854 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 140.03 -16.32 3.01 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.722 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' W' W ' 544' ' ' ARG . . . . . 0.482 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -128.29 154.39 45.96 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.009 0.433 . . . . 0.0 111.253 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' W' W ' 545' ' ' THR . . . . . 0.653 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.8 OUTLIER -75.14 144.75 42.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.411 179.588 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' W' W ' 546' ' ' PHE . . . . . 0.775 ' CD1' ' HB2' ' W' ' 540' ' ' ALA . 13.0 p90 -119.97 162.6 18.93 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' W' W ' 547' ' ' PHE . . . . . 0.459 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.5 OUTLIER -109.35 127.45 54.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.148 -179.747 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' W' W ' 548' ' ' ILE . . . . . 0.522 HG13 HG22 ' W' ' 555' ' ' THR . 2.7 mp -86.74 143.88 10.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.366 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' W' W ' 549' ' ' ASP . . . . . 0.444 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 26.0 t70 -123.66 114.23 19.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.171 -179.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -78.76 -34.4 45.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.063 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -49.57 -36.37 23.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.014 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.64 -3.11 8.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.603 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 25.5 mmt85 61.26 58.83 2.08 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.734 0.302 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -149.58 -171.22 3.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 0.0 111.209 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' W' W ' 555' ' ' THR . . . . . 0.522 HG22 HG13 ' W' ' 548' ' ' ILE . 43.0 p -141.59 174.69 10.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.242 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' W' W ' 556' ' ' THR . . . . . 0.467 HG23 ' H ' ' W' ' 558' ' ' ILE . 9.3 t -168.69 168.22 10.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.279 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' W' W ' 557' ' ' TRP . . . . . 0.488 ' CE2' ' HB2' ' P' ' 229' ' ' LEU . 27.7 m95 -91.6 20.51 5.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.293 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' W' W ' 558' ' ' ILE . . . . . 0.467 ' H ' HG23 ' W' ' 556' ' ' THR . 5.4 mm -133.23 139.18 49.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.042 0.449 . . . . 0.0 111.917 -179.06 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' W' W ' 559' ' ' ASP . . . . . 0.431 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 3.2 m-20 -93.57 113.77 61.17 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.282 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' W' W ' 560' ' ' PRO . . . . . 0.545 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 7.7 Cg_endo -52.94 -25.9 29.61 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 121.936 1.757 . . . . 0.0 111.692 179.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' W' W ' 561' ' ' ARG . . . . . 0.411 ' CG ' ' HB3' ' W' ' 559' ' ' ASP . 0.5 OUTLIER -60.78 -26.39 67.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.593 179.694 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -134.3 -68.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.75 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.395 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.464 -179.894 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' P' P ' 228' ' ' GLY . . . . . 0.411 ' O ' ' HD3' ' P' ' 230' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.327 -0.309 . . . . 0.0 112.327 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 229' ' ' LEU . . . . . 0.488 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 3.5 tp -111.62 87.67 8.39 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.627 0.251 . . . . 0.0 110.977 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 230' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' P' ' 228' ' ' GLY . 52.7 Cg_exo -51.54 101.22 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.316 2.01 . . . . 0.0 111.735 179.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 231' ' ' SER . . . . . 0.406 ' HA ' ' OG1' ' W' ' 555' ' ' THR . 52.5 p . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.038 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' W' W ' 531' ' ' LEU . . . . . 0.652 HD13 ' HA ' ' W' ' 536' ' ' SER . 2.2 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.548 0.213 . . . . 0.0 110.595 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' W' W ' 532' ' ' PRO . . . . . 0.466 ' HB2' ' CD1' ' W' ' 535' ' ' TRP . 75.2 Cg_exo -50.23 -174.23 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.415 2.077 . . . . 0.0 113.057 -179.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' W' W ' 533' ' ' PRO . . . . . 0.465 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 22.0 Cg_exo -68.77 -13.18 36.43 Favored 'Trans proline' 0 CA--C 1.518 -0.299 0 C-N-CA 123.313 2.675 . . . . 0.0 115.154 -178.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' W' W ' 534' ' ' ARG . . . . . 0.438 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 11.3 mmt180 -142.82 45.33 1.59 Allowed 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 120.263 -0.575 . . . . 0.0 111.788 -178.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' W' W ' 535' ' ' TRP . . . . . 0.539 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 38.5 m95 -141.8 169.54 17.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.211 0.529 . . . . 0.0 112.383 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' W' W ' 536' ' ' SER . . . . . 0.652 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.1 OUTLIER -145.81 -158.87 0.94 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.412 179.879 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' W' W ' 537' ' ' MET . . . . . 0.444 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 27.4 mtp -145.52 146.76 31.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.833 0.349 . . . . 0.0 110.958 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' W' W ' 538' ' ' GLN . . . . . 0.469 ' HG2' ' CZ ' ' W' ' 546' ' ' PHE . 41.2 tt0 -168.95 137.32 2.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.961 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' W' W ' 539' ' ' VAL . . . . . 0.834 HG22 ' CG2' ' W' ' 545' ' ' THR . 31.8 t -85.88 130.35 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.86 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' W' W ' 540' ' ' ALA . . . . . 0.805 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -100.36 148.52 35.04 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.355 -179.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.11 -22.73 65.68 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.513 2.142 . . . . 0.0 111.547 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -49.5 -43.77 45.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.745 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 140.18 -14.19 3.03 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.692 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' W' W ' 544' ' ' ARG . . . . . 0.502 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.15 155.19 47.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.953 0.406 . . . . 0.0 111.235 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' W' W ' 545' ' ' THR . . . . . 0.834 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.5 OUTLIER -78.08 146.4 35.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.097 179.179 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' W' W ' 546' ' ' PHE . . . . . 0.805 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 5.9 p90 -119.11 166.03 13.42 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.043 0.449 . . . . 0.0 111.137 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' W' W ' 547' ' ' PHE . . . . . 0.555 ' CZ ' HD22 ' W' ' 531' ' ' LEU . 0.3 OUTLIER -111.01 123.01 49.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.371 -179.463 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' W' W ' 548' ' ' ILE . . . . . . . . . . . . . 3.1 mt -83.27 144.35 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.371 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' W' W ' 549' ' ' ASP . . . . . 0.456 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 58.7 t0 -123.37 115.71 22.09 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.792 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -79.58 -29.65 41.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -52.28 -46.1 65.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.62 -4.77 13.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.513 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 65.02 49.45 2.06 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.782 0.325 . . . . 0.0 110.956 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 10.3 mtp85 -141.43 -172.45 3.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.963 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' W' W ' 555' ' ' THR . . . . . 0.452 ' OG1' HD21 ' P' ' 229' ' ' LEU . 52.8 p -135.87 -176.84 4.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.863 0.363 . . . . 0.0 111.432 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -174.48 166.1 3.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.157 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' W' W ' 557' ' ' TRP . . . . . 0.502 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 22.2 m95 -91.29 19.25 6.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.418 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 4.9 mm -132.5 140.21 48.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.001 0.429 . . . . 0.0 111.826 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' W' W ' 559' ' ' ASP . . . . . 0.515 ' HB3' ' CE2' ' W' ' 547' ' ' PHE . 21.5 p30 -94.06 110.78 50.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' W' W ' 560' ' ' PRO . . . . . 0.539 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 5.0 Cg_endo -50.89 -31.36 33.52 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.212 1.942 . . . . 0.0 112.217 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.13 -22.39 28.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.015 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' W' W ' 562' ' ' ASN . . . . . 0.42 ' ND2' ' OD2' ' W' ' 559' ' ' ASP . 3.3 m-20 -136.63 -65.6 0.55 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.858 0.361 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.534 -179.92 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' P' P ' 228' ' ' GLY . . . . . 0.402 ' O ' ' HD3' ' P' ' 230' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.562 -0.215 . . . . 0.0 112.562 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 229' ' ' LEU . . . . . 0.501 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 1.0 OUTLIER -110.17 91.48 11.46 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.732 0.301 . . . . 0.0 111.026 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' P' P ' 230' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' P' ' 228' ' ' GLY . 76.9 Cg_exo -49.48 91.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.54 2.16 . . . . 0.0 111.776 179.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.403 -179.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' W' W ' 531' ' ' LEU . . . . . 0.706 HD13 ' HA ' ' W' ' 536' ' ' SER . 4.0 mt . . . . . 0 C--O 1.231 0.126 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' W' W ' 532' ' ' PRO . . . . . 0.498 ' HB2' ' CD1' ' W' ' 535' ' ' TRP . 74.6 Cg_exo -49.72 -176.76 0.01 OUTLIER 'Trans proline' 0 CA--C 1.53 0.309 0 C-N-CA 122.322 2.015 . . . . 0.0 113.31 -178.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' W' W ' 533' ' ' PRO . . . . . 0.419 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 19.1 Cg_exo -70.01 -2.99 11.28 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 123.472 2.781 . . . . 0.0 115.159 -177.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' W' W ' 534' ' ' ARG . . . . . 0.439 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 5.7 mmt180 -149.85 40.08 0.8 Allowed 'General case' 0 C--N 1.314 -0.939 0 C-N-CA 120.23 -0.588 . . . . 0.0 111.511 -179.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' W' W ' 535' ' ' TRP . . . . . 0.517 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 30.1 m95 -140.22 169.29 17.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.391 0.615 . . . . 0.0 112.467 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' W' W ' 536' ' ' SER . . . . . 0.706 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.2 OUTLIER -146.29 -160.87 1.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.291 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' W' W ' 537' ' ' MET . . . . . 0.458 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 37.2 mtp -142.29 136.78 30.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.67 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' W' W ' 538' ' ' GLN . . . . . 0.475 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 1.4 tp60 -159.61 129.07 5.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.122 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' W' W ' 539' ' ' VAL . . . . . 0.952 HG22 ' CG2' ' W' ' 545' ' ' THR . 21.4 t -79.45 131.51 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.707 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' W' W ' 540' ' ' ALA . . . . . 0.79 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -99.21 151.9 37.58 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -60.85 -23.49 76.96 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.458 2.105 . . . . 0.0 111.41 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' W' W ' 542' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' P' ' 228' ' ' GLY . 58.7 t30 -48.77 -38.89 23.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.703 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 132.3 -11.23 5.29 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.645 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' W' W ' 544' ' ' ARG . . . . . 0.5 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.2 156.34 45.51 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.988 0.423 . . . . 0.0 111.136 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' W' W ' 545' ' ' THR . . . . . 0.952 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.6 OUTLIER -83.12 146.46 28.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.517 179.628 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' W' W ' 546' ' ' PHE . . . . . 0.79 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 5.3 p90 -119.38 -178.4 3.59 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' W' W ' 547' ' ' PHE . . . . . 0.51 ' CZ ' HD22 ' W' ' 531' ' ' LEU . 0.5 OUTLIER -124.48 124.17 41.72 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.886 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' W' W ' 548' ' ' ILE . . . . . 0.537 ' HA ' HG22 ' W' ' 555' ' ' THR . 2.9 mp -85.1 146.52 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.553 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -123.76 113.02 18.02 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.813 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' W' W ' 550' ' ' HIS . . . . . 0.413 ' N ' ' CD2' ' W' ' 550' ' ' HIS . 6.9 m170 -77.99 -32.11 51.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.027 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -48.56 -41.75 31.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' W' W ' 552' ' ' SER . . . . . 0.413 ' HB3' ' NE ' ' W' ' 554' ' ' ARG . 0.1 OUTLIER -122.65 1.68 9.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.531 179.787 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 60.63 60.79 1.85 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.777 0.323 . . . . 0.0 110.941 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' W' W ' 554' ' ' ARG . . . . . 0.413 ' NE ' ' HB3' ' W' ' 552' ' ' SER . 49.9 mtm180 -146.89 -167.04 2.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.723 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' W' W ' 555' ' ' THR . . . . . 0.537 HG22 ' HA ' ' W' ' 548' ' ' ILE . 63.6 p -146.05 178.74 7.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.829 0.347 . . . . 0.0 110.931 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' W' W ' 556' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' W' ' 546' ' ' PHE . 0.0 OUTLIER -171.75 164.13 6.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.318 179.846 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' W' W ' 557' ' ' TRP . . . . . 0.5 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 20.6 m95 -87.89 16.53 5.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.539 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.0 mm -128.58 142.4 44.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.057 0.456 . . . . 0.0 111.686 -178.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' W' W ' 559' ' ' ASP . . . . . 0.448 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 1.3 m-20 -98.84 110.68 58.33 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.97 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' W' W ' 560' ' ' PRO . . . . . 0.517 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 3.3 Cg_endo -49.32 -34.33 31.62 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.88 1.72 . . . . 0.0 111.263 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.7 -28.37 33.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.587 179.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -130.07 -68.12 0.72 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.045 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.424 -179.942 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' P' P ' 228' ' ' GLY . . . . . 0.417 ' O ' ' HD3' ' P' ' 230' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 229' ' ' LEU . . . . . 0.487 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 0.5 OUTLIER -109.51 81.26 1.77 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.617 0.246 . . . . 0.0 111.351 -179.891 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' P' P ' 230' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' P' ' 228' ' ' GLY . 79.7 Cg_exo -43.43 100.48 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.419 2.079 . . . . 0.0 111.749 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.268 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' W' W ' 531' ' ' LEU . . . . . 0.759 HD21 ' HG3' ' W' ' 537' ' ' MET . 10.0 mt . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 120.452 0.167 . . . . 0.0 110.564 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' W' W ' 532' ' ' PRO . . . . . 0.504 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 23.3 Cg_exo -41.45 170.94 0.01 OUTLIER 'Trans proline' 0 CA--C 1.534 0.486 0 C-N-CA 123.269 2.646 . . . . 0.0 113.307 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' W' W ' 533' ' ' PRO . . . . . 0.504 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 35.9 Cg_exo -31.52 -62.61 0.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 123.871 3.047 . . . . 0.0 115.03 -178.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' W' W ' 534' ' ' ARG . . . . . 0.476 ' O ' ' CG ' ' W' ' 535' ' ' TRP . 10.1 mmm180 -116.82 70.73 0.78 Allowed 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.343 -178.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' W' W ' 535' ' ' TRP . . . . . 0.532 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 96.3 m95 -159.81 153.7 23.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.818 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' W' W ' 536' ' ' SER . . . . . 0.74 ' HA ' HD13 ' W' ' 531' ' ' LEU . 3.5 m -154.84 -174.35 4.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.829 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' W' W ' 537' ' ' MET . . . . . 0.759 ' HG3' HD21 ' W' ' 531' ' ' LEU . 3.9 mtm -124.26 150.18 45.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.74 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' W' W ' 538' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -168.09 141.62 3.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.076 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 12.9 p -87.52 136.98 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.82 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' W' W ' 540' ' ' ALA . . . . . 0.795 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -109.02 157.09 37.92 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.241 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -62.0 -30.43 83.15 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.64 2.227 . . . . 0.0 111.879 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -48.99 -34.23 12.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.906 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 124.8 -3.92 8.57 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.654 -0.784 . . . . 0.0 113.2 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' W' W ' 544' ' ' ARG . . . . . 0.525 ' HG3' ' CE3' ' W' ' 557' ' ' TRP . 2.4 ptt180 -130.84 152.21 50.43 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 117.036 0.418 . . . . 0.0 111.153 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.64 146.88 32.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.048 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' W' W ' 546' ' ' PHE . . . . . 0.795 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 23.0 p90 -128.96 168.7 15.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' W' W ' 547' ' ' PHE . . . . . 0.517 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.9 OUTLIER -102.62 150.71 23.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.377 179.176 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' W' W ' 548' ' ' ILE . . . . . 0.418 ' HB ' ' HB2' ' W' ' 536' ' ' SER . 4.7 mt -107.41 109.42 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.32 -0.4 . . . . 0.0 112.016 -179.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' W' W ' 549' ' ' ASP . . . . . 0.472 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 17.1 t70 -83.18 105.8 14.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.89 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' W' W ' 550' ' ' HIS . . . . . 0.409 ' HB2' ' HB3' ' W' ' 534' ' ' ARG . 22.4 m-70 -75.03 -26.05 59.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.794 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -53.34 -34.01 55.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' W' W ' 552' ' ' SER . . . . . 0.4 ' O ' ' HG3' ' W' ' 554' ' ' ARG . 0.2 OUTLIER -136.91 18.53 3.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.279 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? 49.15 49.32 19.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.849 0.357 . . . . 0.0 111.034 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' W' W ' 554' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' W' ' 552' ' ' SER . 6.1 mtp180 -126.58 -176.72 3.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' W' W ' 555' ' ' THR . . . . . 0.52 HG21 ' CE2' ' W' ' 546' ' ' PHE . 20.0 p -135.57 170.69 15.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.1 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' W' W ' 556' ' ' THR . . . . . 0.513 ' N ' HD11 ' P' ' 229' ' ' LEU . 0.2 OUTLIER -165.94 157.99 14.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.368 . . . . 0.0 111.256 -179.839 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' W' W ' 557' ' ' TRP . . . . . 0.525 ' CE3' ' HG3' ' W' ' 544' ' ' ARG . 16.8 m95 -84.31 11.86 7.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.072 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' W' W ' 558' ' ' ILE . . . . . 0.406 HG22 ' N ' ' W' ' 559' ' ' ASP . 4.9 mm -132.1 156.29 42.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.891 0.377 . . . . 0.0 111.673 -179.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' W' W ' 559' ' ' ASP . . . . . 0.499 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 2.5 p30 -114.66 134.05 22.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.178 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' W' W ' 560' ' ' PRO . . . . . 0.532 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 45.2 Cg_endo -72.38 -3.05 12.67 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.446 2.097 . . . . 0.0 112.702 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' W' W ' 561' ' ' ARG . . . . . 0.432 ' HG2' ' CD ' ' W' ' 532' ' ' PRO . 7.1 mtm180 -80.85 -34.75 33.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.016 0.436 . . . . 0.0 110.239 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -129.03 -43.42 1.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.572 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.441 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.306 -179.867 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' P' P ' 229' ' ' LEU . . . . . 0.513 HD11 ' N ' ' W' ' 556' ' ' THR . 6.4 tp -96.12 110.43 52.08 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.463 0.173 . . . . 0.0 110.948 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.68 -150.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.442 2.095 . . . . 0.0 111.575 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.328 -0.354 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.412 179.856 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' W' W ' 531' ' ' LEU . . . . . 0.953 HD13 ' HA ' ' W' ' 536' ' ' SER . 2.1 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.587 0.232 . . . . 0.0 110.631 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' W' W ' 532' ' ' PRO . . . . . 0.471 ' HG2' ' HG2' ' W' ' 560' ' ' PRO . 70.9 Cg_exo -50.35 -178.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.668 2.246 . . . . 0.0 113.359 -179.479 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' W' W ' 533' ' ' PRO . . . . . 0.448 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 37.7 Cg_exo -54.41 -29.38 58.52 Favored 'Trans proline' 0 CA--C 1.516 -0.383 0 C-N-CA 123.446 2.764 . . . . 0.0 114.961 -178.498 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' W' W ' 534' ' ' ARG . . . . . 0.41 ' HB3' ' N ' ' W' ' 551' ' ' ALA . 13.9 mmm-85 -132.3 53.32 2.01 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -178.104 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' W' W ' 535' ' ' TRP . . . . . 0.566 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 58.2 m95 -144.72 161.35 39.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.253 0.549 . . . . 0.0 112.399 179.681 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' W' W ' 536' ' ' SER . . . . . 0.953 ' HA ' HD13 ' W' ' 531' ' ' LEU . 1.2 m -150.74 -171.37 3.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.23 -179.85 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' W' W ' 537' ' ' MET . . . . . 0.765 ' CG ' HD21 ' W' ' 531' ' ' LEU . 45.6 mtm -134.76 148.32 50.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.748 179.846 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' W' W ' 538' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -164.19 151.59 12.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.011 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' W' W ' 539' ' ' VAL . . . . . 0.864 HG22 ' CG2' ' W' ' 545' ' ' THR . 8.0 t -99.02 132.06 45.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.761 179.749 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' W' W ' 540' ' ' ALA . . . . . 0.804 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -105.21 165.25 13.51 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.16 -179.654 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' W' W ' 541' ' ' PRO . . . . . 0.715 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 39.0 Cg_endo -66.11 -24.34 52.07 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.555 2.17 . . . . 0.0 111.687 179.667 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' W' W ' 542' ' ' ASN . . . . . 0.454 ' ND2' ' NE ' ' W' ' 544' ' ' ARG . 53.9 t30 -51.73 -25.72 7.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.726 179.698 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 114.4 -7.48 22.73 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 113.012 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' W' W ' 544' ' ' ARG . . . . . 0.524 ' HG3' ' CE3' ' W' ' 557' ' ' TRP . 9.0 ptp180 -131.04 158.44 40.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.999 0.399 . . . . 0.0 111.201 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' W' W ' 545' ' ' THR . . . . . 0.864 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.7 OUTLIER -84.86 146.73 27.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.827 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' W' W ' 546' ' ' PHE . . . . . 0.804 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 3.8 p90 -119.5 173.57 6.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.304 -179.907 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' W' W ' 547' ' ' PHE . . . . . 0.812 ' CE2' HD23 ' W' ' 531' ' ' LEU . 2.2 m-85 -112.87 123.53 50.52 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 121.294 0.569 . . . . 0.0 111.321 -179.886 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' W' W ' 548' ' ' ILE . . . . . 0.418 ' O ' ' HA ' ' W' ' 535' ' ' TRP . 4.5 mt -83.42 146.63 6.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.217 -0.902 . . . . 0.0 110.83 179.724 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -123.85 100.86 6.97 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.787 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -69.9 -24.57 63.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.05 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' W' W ' 551' ' ' ALA . . . . . 0.41 ' N ' ' HB3' ' W' ' 534' ' ' ARG . . . -63.36 -60.55 3.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.071 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.38 -1.38 41.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.646 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? 61.54 53.74 3.25 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.82 0.343 . . . . 0.0 110.81 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -137.9 179.14 6.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.027 -179.861 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 55.1 p -135.48 164.49 27.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.734 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' W' W ' 556' ' ' THR . . . . . 0.598 ' CA ' HD11 ' P' ' 229' ' ' LEU . 2.8 t -161.06 165.47 29.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.967 0.413 . . . . 0.0 111.408 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' W' W ' 557' ' ' TRP . . . . . 0.633 ' HH2' ' HB3' ' W' ' 540' ' ' ALA . 12.1 m95 -91.84 8.26 38.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.814 -179.86 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.4 mm -131.35 146.94 32.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.852 0.358 . . . . 0.0 111.095 -179.59 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' W' W ' 559' ' ' ASP . . . . . 0.506 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 2.7 p30 -90.34 140.03 26.97 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.231 -179.635 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' W' W ' 560' ' ' PRO . . . . . 0.566 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 45.4 Cg_endo -85.66 7.08 5.25 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.768 2.312 . . . . 0.0 112.594 179.484 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' W' W ' 561' ' ' ARG . . . . . 0.424 ' HG2' ' HD3' ' W' ' 532' ' ' PRO . 6.5 mtm180 -83.5 -44.6 14.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.978 0.418 . . . . 0.0 110.446 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' W' W ' 562' ' ' ASN . . . . . 0.424 ' ND2' ' OD1' ' W' ' 559' ' ' ASP . 0.3 OUTLIER -141.32 19.44 2.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.193 179.681 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.282 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.763 179.812 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' P' P ' 228' ' ' GLY . . . . . 0.403 ' O ' ' HD3' ' P' ' 230' ' ' PRO . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' P' P ' 229' ' ' LEU . . . . . 0.598 HD11 ' CA ' ' W' ' 556' ' ' THR . 0.4 OUTLIER -98.87 106.27 36.51 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.501 0.191 . . . . 0.0 110.801 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' P' P ' 230' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' P' ' 228' ' ' GLY . 35.6 Cg_exo -58.69 -149.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.595 2.197 . . . . 0.0 112.071 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--N 1.33 -0.254 0 CA-C-O 120.903 0.383 . . . . 0.0 111.266 -179.775 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' W' W ' 531' ' ' LEU . . . . . 0.9 HD13 ' HA ' ' W' ' 536' ' ' SER . 4.3 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.636 0.255 . . . . 0.0 110.548 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' W' W ' 532' ' ' PRO . . . . . 0.471 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 71.1 Cg_exo -50.55 -174.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.659 2.239 . . . . 0.0 113.376 -179.176 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' W' W ' 533' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 16.7 Cg_exo -71.74 -5.18 16.53 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.552 2.835 . . . . 0.0 115.14 -177.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' W' W ' 534' ' ' ARG . . . . . 0.443 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 8.1 mmt85 -146.43 38.6 1.05 Allowed 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.201 -0.599 . . . . 0.0 111.664 -179.03 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' W' W ' 535' ' ' TRP . . . . . 0.539 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 33.7 m95 -140.07 169.02 18.46 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -179.657 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' W' W ' 536' ' ' SER . . . . . 0.9 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.1 OUTLIER -149.15 -159.02 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.336 -179.909 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' W' W ' 537' ' ' MET . . . . . 0.633 ' HG3' HD21 ' W' ' 531' ' ' LEU . 28.0 mtm -142.88 145.74 33.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.836 0.351 . . . . 0.0 110.997 179.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' W' W ' 538' ' ' GLN . . . . . 0.48 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 4.3 tp-100 -168.97 132.57 1.38 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.748 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' W' W ' 539' ' ' VAL . . . . . 0.837 HG22 ' CG2' ' W' ' 545' ' ' THR . 13.6 t -83.68 128.43 38.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.924 0.392 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' W' W ' 540' ' ' ALA . . . . . 0.554 ' HB2' ' CD1' ' W' ' 546' ' ' PHE . . . -91.39 150.66 41.7 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.132 -179.794 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.01 -23.56 73.51 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.494 2.129 . . . . 0.0 111.753 179.571 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -52.99 -32.14 44.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.7 179.648 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 124.07 -4.81 9.0 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.791 -0.719 . . . . 0.0 113.163 179.813 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' W' W ' 544' ' ' ARG . . . . . 0.514 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.3 OUTLIER -131.24 153.07 49.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 117.008 0.404 . . . . 0.0 111.252 -179.846 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' W' W ' 545' ' ' THR . . . . . 0.837 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.4 OUTLIER -82.46 146.31 29.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.491 179.365 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' W' W ' 546' ' ' PHE . . . . . 0.554 ' CD1' ' HB2' ' W' ' 540' ' ' ALA . 8.0 p90 -121.03 -177.74 3.57 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.026 0.441 . . . . 0.0 111.112 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' W' W ' 547' ' ' PHE . . . . . 0.534 ' CE2' HD22 ' W' ' 531' ' ' LEU . 0.8 OUTLIER -125.43 124.93 42.51 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.697 179.885 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' W' W ' 548' ' ' ILE . . . . . 0.616 HG13 HG22 ' W' ' 555' ' ' THR . 2.6 mp -86.28 149.53 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.474 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -127.51 118.72 24.53 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.98 -179.544 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' W' W ' 550' ' ' HIS . . . . . 0.432 ' N ' ' CD2' ' W' ' 550' ' ' HIS . 6.5 m170 -82.99 -29.62 28.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -48.8 -41.02 31.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.93 179.814 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.47 2.92 7.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.398 179.633 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 59.63 68.59 0.78 Allowed 'General case' 0 N--CA 1.456 -0.138 0 CA-C-O 120.741 0.305 . . . . 0.0 110.985 -179.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -154.03 -168.88 3.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.882 0.372 . . . . 0.0 111.306 -179.837 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' W' W ' 555' ' ' THR . . . . . 0.616 HG22 HG13 ' W' ' 548' ' ' ILE . 70.9 p -143.17 169.27 17.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.101 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' W' W ' 556' ' ' THR . . . . . 0.87 ' CA ' HD11 ' P' ' 229' ' ' LEU . 1.3 t -164.05 165.11 22.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.031 0.443 . . . . 0.0 111.397 179.846 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' W' W ' 557' ' ' TRP . . . . . 0.514 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 14.4 m95 -87.93 14.7 8.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.658 179.931 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' W' W ' 558' ' ' ILE . . . . . 0.43 ' CG2' ' HA2' ' W' ' 563' ' ' GLY . 5.3 mm -126.56 149.54 31.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.034 0.445 . . . . 0.0 112.077 -178.544 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' W' W ' 559' ' ' ASP . . . . . 0.425 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 2.1 m-20 -103.89 114.94 64.14 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.966 -179.725 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' W' W ' 560' ' ' PRO . . . . . 0.539 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 6.1 Cg_endo -52.06 -26.43 25.66 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.199 1.932 . . . . 0.0 111.902 179.859 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.98 -30.69 71.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.739 179.861 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -127.06 -68.57 0.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 179.771 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' W' W ' 563' ' ' GLY . . . . . 0.43 ' HA2' ' CG2' ' W' ' 558' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.678 -0.169 . . . . 0.0 112.678 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' P' P ' 229' ' ' LEU . . . . . 0.87 HD11 ' CA ' ' W' ' 556' ' ' THR . 9.4 tp 67.29 66.61 0.63 Allowed Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 120.633 0.254 . . . . 0.0 111.043 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -51.99 125.81 18.32 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.352 2.035 . . . . 0.0 111.636 179.583 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.376 0 CA-C-O 121.096 0.474 . . . . 0.0 111.158 -179.609 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' W' W ' 531' ' ' LEU . . . . . 0.717 HD13 ' HA ' ' W' ' 536' ' ' SER . 3.0 mt . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.462 0.172 . . . . 0.0 110.565 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' W' W ' 532' ' ' PRO . . . . . 0.471 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 72.0 Cg_exo -50.18 -174.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.574 2.183 . . . . 0.0 113.296 -179.39 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' W' W ' 533' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 29.4 Cg_exo -64.91 -18.1 61.32 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.359 2.706 . . . . 0.0 115.131 -178.211 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' W' W ' 534' ' ' ARG . . . . . 0.434 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 82.6 mmt-85 -139.21 46.82 1.92 Allowed 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 120.43 -0.508 . . . . 0.0 112.018 -178.391 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' W' W ' 535' ' ' TRP . . . . . 0.544 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 45.0 m95 -142.88 168.54 19.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.171 0.51 . . . . 0.0 112.141 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' W' W ' 536' ' ' SER . . . . . 0.717 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.3 OUTLIER -147.52 -163.01 1.66 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.548 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' W' W ' 537' ' ' MET . . . . . 0.455 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 26.9 mtm -137.84 145.23 42.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.079 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' W' W ' 538' ' ' GLN . . . . . 0.44 ' O ' ' CD1' ' W' ' 546' ' ' PHE . 6.4 tp60 -165.33 128.39 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.747 179.799 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' W' W ' 539' ' ' VAL . . . . . 0.694 HG22 ' CG2' ' W' ' 545' ' ' THR . 42.6 t -80.54 125.03 39.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.845 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' W' W ' 540' ' ' ALA . . . . . 0.834 ' HB2' ' CD1' ' W' ' 546' ' ' PHE . . . -92.44 141.53 24.9 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.15 -179.714 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.73 -22.58 45.26 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.552 2.168 . . . . 0.0 111.702 179.678 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' W' W ' 542' ' ' ASN . . . . . 0.435 ' ND2' ' NE ' ' W' ' 544' ' ' ARG . 49.8 t30 -51.79 -42.95 62.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.617 179.628 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 141.48 -13.39 2.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.593 -0.813 . . . . 0.0 113.059 179.744 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' W' W ' 544' ' ' ARG . . . . . 0.506 ' HG2' ' CE3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.15 149.97 52.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.942 0.401 . . . . 0.0 111.506 -179.87 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' W' W ' 545' ' ' THR . . . . . 0.694 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.3 OUTLIER -72.73 146.31 46.52 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.55 179.478 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' W' W ' 546' ' ' PHE . . . . . 0.834 ' CD1' ' HB2' ' W' ' 540' ' ' ALA . 11.7 p90 -121.96 151.29 40.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.905 179.848 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' W' W ' 547' ' ' PHE . . . . . 0.535 ' CZ ' HD22 ' W' ' 531' ' ' LEU . 0.7 OUTLIER -99.78 125.33 45.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.278 0.561 . . . . 0.0 111.489 -179.571 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' W' W ' 548' ' ' ILE . . . . . 0.469 ' O ' ' CE3' ' W' ' 535' ' ' TRP . 2.8 mp -84.55 145.3 8.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.663 179.614 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' W' W ' 549' ' ' ASP . . . . . 0.495 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 28.0 t70 -122.95 115.36 21.8 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.072 -179.602 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' W' W ' 550' ' ' HIS . . . . . 0.418 ' N ' ' CD2' ' W' ' 550' ' ' HIS . 6.4 m170 -82.66 -27.69 31.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.736 179.776 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -52.43 -37.24 56.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.564 179.729 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.03 0.45 6.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.449 179.722 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 61.94 65.16 0.93 Allowed 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.631 0.253 . . . . 0.0 111.079 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -153.87 -166.98 2.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.817 0.342 . . . . 0.0 111.352 -179.915 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 77.3 p -142.84 177.31 8.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.24 -179.756 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -170.22 164.52 9.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.377 179.889 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' W' W ' 557' ' ' TRP . . . . . 0.506 ' CE3' ' HG2' ' W' ' 544' ' ' ARG . 22.0 m95 -89.62 18.75 5.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.464 179.803 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.7 mm -132.79 152.12 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.12 0.486 . . . . 0.0 112.104 -179.002 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' W' W ' 559' ' ' ASP . . . . . 0.471 ' OD2' ' CE1' ' W' ' 547' ' ' PHE . 0.5 OUTLIER -100.68 110.3 60.14 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.468 179.845 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' W' W ' 560' ' ' PRO . . . . . 0.544 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 2.4 Cg_endo -51.63 -29.86 34.37 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.089 1.859 . . . . 0.0 112.418 -179.415 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.12 -18.89 64.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.109 179.813 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -130.34 -66.13 0.78 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.843 0.354 . . . . 0.0 110.811 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' W' W ' 563' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' W' ' 559' ' ' ASP . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.375 -179.84 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 N-CA-C 112.695 -0.162 . . . . 0.0 112.695 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' P' P ' 229' ' ' LEU . . . . . 0.49 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 1.8 tp -90.81 108.85 30.63 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.461 0.172 . . . . 0.0 110.679 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -68.59 102.67 0.87 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.587 2.191 . . . . 0.0 111.972 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.861 -179.851 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' W' W ' 531' ' ' LEU . . . . . 0.847 HD13 ' HA ' ' W' ' 536' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.122 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' W' W ' 532' ' ' PRO . . . . . 0.48 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 75.8 Cg_exo -49.85 -173.25 0.0 OUTLIER 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.558 2.172 . . . . 0.0 113.286 -179.155 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' W' W ' 533' ' ' PRO . . . . . 0.48 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 27.0 Cg_exo -64.29 -18.88 64.83 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.172 2.581 . . . . 0.0 115.251 -178.029 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' W' W ' 534' ' ' ARG . . . . . 0.433 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 26.0 mmt180 -140.29 51.44 1.68 Allowed 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 120.401 -0.52 . . . . 0.0 111.534 -178.75 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' W' W ' 535' ' ' TRP . . . . . 0.522 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 54.6 m95 -145.37 168.52 20.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.42 0.628 . . . . 0.0 112.49 -179.873 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' W' W ' 536' ' ' SER . . . . . 0.847 ' HA ' HD13 ' W' ' 531' ' ' LEU . 2.0 m -153.24 -171.81 4.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.795 179.746 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' W' W ' 537' ' ' MET . . . . . 0.672 ' HG3' HD21 ' W' ' 531' ' ' LEU . 0.0 OUTLIER -150.09 141.48 23.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.097 0.475 . . . . 0.0 111.617 -179.935 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' W' W ' 538' ' ' GLN . . . . . 0.471 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 0.3 OUTLIER -168.08 141.45 3.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.34 179.816 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' W' W ' 539' ' ' VAL . . . . . 0.847 HG22 ' CG2' ' W' ' 545' ' ' THR . 20.7 t -72.37 131.45 34.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.369 . . . . 0.0 111.125 -179.738 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' W' W ' 540' ' ' ALA . . . . . 0.757 ' HB2' ' CD1' ' W' ' 546' ' ' PHE . . . -90.74 166.52 18.92 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.137 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' W' W ' 541' ' ' PRO . . . . . 0.716 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 57.5 Cg_endo -71.03 -23.17 25.35 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.5 2.133 . . . . 0.0 112.047 179.837 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' W' W ' 542' ' ' ASN . . . . . 0.427 ' ND2' ' HD3' ' W' ' 544' ' ' ARG . 25.9 t30 -55.4 -41.23 72.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.863 179.899 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 138.51 -14.19 3.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.533 -0.842 . . . . 0.0 112.993 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' W' W ' 544' ' ' ARG . . . . . 0.534 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -126.38 157.97 37.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.965 0.412 . . . . 0.0 111.384 -179.87 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' W' W ' 545' ' ' THR . . . . . 0.847 ' CG2' HG22 ' W' ' 539' ' ' VAL . 1.0 OUTLIER -80.51 146.87 31.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.309 -179.828 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' W' W ' 546' ' ' PHE . . . . . 0.757 ' CD1' ' HB2' ' W' ' 540' ' ' ALA . 11.0 p90 -124.35 -174.58 3.04 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.232 -179.865 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' W' W ' 547' ' ' PHE . . . . . 0.814 ' CE2' HD23 ' W' ' 531' ' ' LEU . 1.1 m-85 -123.67 119.43 29.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.9 179.353 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' W' W ' 548' ' ' ILE . . . . . 0.434 HG13 HG22 ' W' ' 555' ' ' THR . 2.4 mp -80.62 125.97 39.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.214 0.53 . . . . 0.0 111.302 -179.169 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' W' W ' 549' ' ' ASP . . . . . 0.471 ' OD2' ' CH2' ' W' ' 535' ' ' TRP . 0.2 OUTLIER -93.24 125.52 37.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.334 179.77 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -95.69 -34.79 11.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 111.292 -179.587 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -50.07 -39.34 41.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.181 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.99 3.23 7.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.744 179.896 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 34.1 mtt180 61.13 72.51 0.52 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.914 0.388 . . . . 0.0 110.871 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 45.7 mtt-85 -149.34 -164.07 1.94 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' W' W ' 555' ' ' THR . . . . . 0.834 ' O ' HD11 ' P' ' 229' ' ' LEU . 46.5 p -150.9 140.23 21.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.456 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' W' W ' 556' ' ' THR . . . . . 0.516 ' HA ' HD11 ' P' ' 229' ' ' LEU . 15.4 t -133.6 162.79 30.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.983 179.488 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' W' W ' 557' ' ' TRP . . . . . 0.534 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 13.0 m95 -85.51 -39.85 17.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.871 -179.256 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 4.2 mm -86.75 124.81 40.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.558 -178.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' W' W ' 559' ' ' ASP . . . . . 0.429 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 0.7 OUTLIER -68.02 144.63 97.22 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.171 -179.663 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' W' W ' 560' ' ' PRO . . . . . 0.522 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 36.8 Cg_endo -85.08 -22.71 2.68 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.67 2.247 . . . . 0.0 112.403 179.777 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.39 -28.84 46.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.963 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -144.78 -43.54 0.24 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.849 -179.871 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.512 179.904 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.605 -0.198 . . . . 0.0 112.605 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' P' P ' 229' ' ' LEU . . . . . 0.834 HD11 ' O ' ' W' ' 555' ' ' THR . 0.2 OUTLIER 53.84 96.69 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 120.612 0.244 . . . . 0.0 110.739 -179.862 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.07 -146.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.492 2.128 . . . . 0.0 111.391 179.437 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 4.9 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 0.0 110.861 179.71 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' W' W ' 531' ' ' LEU . . . . . 0.851 HD23 ' CE2' ' W' ' 547' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.463 0.196 0 CA-C-O 120.667 0.27 . . . . 0.0 110.456 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' W' W ' 532' ' ' PRO . . . . . 0.467 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 80.2 Cg_exo -48.17 179.39 0.01 OUTLIER 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.65 2.233 . . . . 0.0 113.031 -179.41 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' W' W ' 533' ' ' PRO . . . . . 0.467 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 59.4 Cg_exo -43.09 -52.43 4.82 Favored 'Trans proline' 0 CA--C 1.515 -0.43 0 C-N-CA 123.515 2.81 . . . . 0.0 115.177 -178.665 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' W' W ' 534' ' ' ARG . . . . . 0.473 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 21.0 mmt85 -120.77 68.63 0.87 Allowed 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.73 -178.179 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' W' W ' 535' ' ' TRP . . . . . 0.587 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 79.6 m95 -153.47 156.09 37.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.168 0.508 . . . . 0.0 112.26 179.76 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' W' W ' 536' ' ' SER . . . . . 0.717 ' CA ' HD22 ' W' ' 531' ' ' LEU . 1.5 m -143.82 -172.05 3.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.206 179.678 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' W' W ' 537' ' ' MET . . . . . 0.407 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 0.1 OUTLIER -145.7 128.53 16.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.979 0.419 . . . . 0.0 111.338 -179.942 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' W' W ' 538' ' ' GLN . . . . . 0.653 ' HB2' HD11 ' W' ' 548' ' ' ILE . 1.3 mt-30 -145.58 144.93 30.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.605 179.677 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' W' W ' 539' ' ' VAL . . . . . 0.957 HG22 ' CG2' ' W' ' 545' ' ' THR . 9.5 t -84.2 129.11 38.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.046 -179.818 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' W' W ' 540' ' ' ALA . . . . . 0.821 ' HB1' ' HD2' ' W' ' 541' ' ' PRO . . . -94.98 169.66 9.11 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' W' W ' 541' ' ' PRO . . . . . 0.821 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 55.6 Cg_endo -69.82 -23.78 30.12 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.475 2.117 . . . . 0.0 112.055 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -53.4 -33.01 52.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.835 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 123.98 -8.61 8.6 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.649 -0.786 . . . . 0.0 113.093 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' W' W ' 544' ' ' ARG . . . . . 0.529 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -128.49 156.67 42.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 117.023 0.411 . . . . 0.0 111.415 -179.874 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' W' W ' 545' ' ' THR . . . . . 0.957 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.6 OUTLIER -85.1 146.91 26.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.222 -179.917 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' W' W ' 546' ' ' PHE . . . . . 0.741 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 3.4 p90 -120.95 -174.85 2.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 179.837 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' W' W ' 547' ' ' PHE . . . . . 0.851 ' CE2' HD23 ' W' ' 531' ' ' LEU . 1.0 OUTLIER -123.11 118.34 27.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.003 0.43 . . . . 0.0 110.353 179.731 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' W' W ' 548' ' ' ILE . . . . . 0.653 HD11 ' HB2' ' W' ' 538' ' ' GLN . 2.7 mp -79.52 137.48 21.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.795 -179.732 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' W' W ' 549' ' ' ASP . . . . . 0.482 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 55.2 t0 -110.17 105.97 15.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.047 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' W' W ' 550' ' ' HIS . . . . . 0.407 ' HB2' ' HB3' ' W' ' 534' ' ' ARG . 19.4 m-70 -76.41 -21.72 55.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -59.43 -46.02 89.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.89 0.376 . . . . 0.0 111.059 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.6 19.24 6.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.221 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 49.47 64.28 1.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 111.06 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -135.65 -167.5 2.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.669 179.729 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' W' W ' 555' ' ' THR . . . . . 0.803 ' O ' HD21 ' P' ' 229' ' ' LEU . 63.7 p -151.74 155.06 37.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.248 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' W' W ' 556' ' ' THR . . . . . 0.614 ' CA ' HD11 ' P' ' 229' ' ' LEU . 10.6 t -148.91 159.16 44.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.013 0.435 . . . . 0.0 111.184 -179.917 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' W' W ' 557' ' ' TRP . . . . . 0.529 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 22.9 m95 -87.45 -22.06 25.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.214 -179.929 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 31.5 mt -107.22 125.57 63.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.135 0.493 . . . . 0.0 111.919 -178.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' W' W ' 559' ' ' ASP . . . . . 0.493 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 4.7 p30 -57.3 138.45 80.7 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.053 -179.848 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' W' W ' 560' ' ' PRO . . . . . 0.587 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 81.3 Cg_endo -90.98 19.65 1.09 Allowed 'Trans proline' 0 N--CA 1.455 -0.755 0 C-N-CA 123.012 2.475 . . . . 0.0 111.903 179.321 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.07 7.71 29.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.441 -179.604 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -175.41 -49.53 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.719 0.295 . . . . 0.0 110.718 179.774 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.618 179.859 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.413 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' P' P ' 229' ' ' LEU . . . . . 0.803 HD21 ' O ' ' W' ' 555' ' ' THR . 4.4 tp 68.32 70.61 0.42 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.695 0.283 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' P' P ' 230' ' ' PRO . . . . . 0.406 ' O ' HG21 ' W' ' 555' ' ' THR . 53.2 Cg_exo -54.94 104.93 0.13 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.543 2.162 . . . . 0.0 112.074 179.88 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 32.8 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 -179.907 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' W' W ' 531' ' ' LEU . . . . . 0.446 ' CD1' ' HA ' ' W' ' 536' ' ' SER . 1.3 mt . . . . . 0 C--O 1.232 0.136 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' W' W ' 532' ' ' PRO . . . . . 0.462 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 56.4 Cg_exo -50.85 -174.81 0.01 OUTLIER 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 122.267 1.978 . . . . 0.0 113.244 -178.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' W' W ' 533' ' ' PRO . . . . . 0.462 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 19.8 Cg_exo -69.73 -10.18 27.95 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.407 2.738 . . . . 0.0 115.168 -177.922 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' W' W ' 534' ' ' ARG . . . . . 0.437 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 22.8 mmt85 -143.57 43.07 1.5 Allowed 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 120.359 -0.536 . . . . 0.0 111.66 -178.883 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' W' W ' 535' ' ' TRP . . . . . 0.531 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 38.3 m95 -141.55 168.01 20.79 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.41 0.624 . . . . 0.0 112.466 -179.934 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' W' W ' 536' ' ' SER . . . . . 0.446 ' HA ' ' CD1' ' W' ' 531' ' ' LEU . 0.1 OUTLIER -147.39 -158.14 0.88 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.429 -179.835 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' W' W ' 537' ' ' MET . . . . . . . . . . . . . 26.8 mtp -144.4 144.69 31.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.755 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' W' W ' 538' ' ' GLN . . . . . 0.471 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 2.2 tp-100 -168.2 129.73 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.979 -179.888 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' W' W ' 539' ' ' VAL . . . . . 0.749 HG22 ' CG2' ' W' ' 545' ' ' THR . 4.7 t -79.48 136.51 23.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.802 179.728 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' W' W ' 540' ' ' ALA . . . . . 0.861 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -107.6 156.75 37.35 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.33 -179.696 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -62.85 -24.45 74.36 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.613 2.208 . . . . 0.0 111.402 179.385 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -47.82 -42.02 25.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.759 179.728 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 134.47 -12.06 4.62 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.668 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' W' W ' 544' ' ' ARG . . . . . 0.506 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.24 155.81 46.47 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.91 0.386 . . . . 0.0 111.108 -179.935 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' W' W ' 545' ' ' THR . . . . . 0.749 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.5 OUTLIER -80.47 145.33 31.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.05 179.276 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' W' W ' 546' ' ' PHE . . . . . 0.861 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 7.4 p90 -117.22 -179.56 3.75 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.014 0.435 . . . . 0.0 111.201 -179.666 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' W' W ' 547' ' ' PHE . . . . . 0.505 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.6 OUTLIER -123.89 126.47 46.43 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.169 -179.784 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' W' W ' 548' ' ' ILE . . . . . 0.539 HG13 HG22 ' W' ' 555' ' ' THR . 2.7 mp -86.71 149.25 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.359 179.663 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -128.64 117.41 21.16 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.013 -179.496 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' W' W ' 550' ' ' HIS . . . . . 0.405 ' CD2' ' N ' ' W' ' 550' ' ' HIS . 7.5 m170 -81.91 -26.07 34.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.788 179.864 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -50.05 -43.12 50.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.734 179.583 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.72 1.19 8.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.306 179.583 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 59.7 mmt-85 63.11 62.77 0.98 Allowed 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.733 0.301 . . . . 0.0 110.977 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' W' W ' 554' ' ' ARG . . . . . 0.433 ' CZ ' ' HB3' ' W' ' 554' ' ' ARG . 5.4 mtp-105 -149.24 -166.53 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.967 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' W' W ' 555' ' ' THR . . . . . 0.539 HG22 HG13 ' W' ' 548' ' ' ILE . 60.3 p -143.92 179.67 7.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 179.791 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -171.15 166.04 7.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.117 179.861 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' W' W ' 557' ' ' TRP . . . . . 0.506 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 19.1 m95 -89.6 15.37 9.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.452 179.832 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.5 mm -129.05 149.07 33.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.099 0.476 . . . . 0.0 111.754 -179.022 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' W' W ' 559' ' ' ASP . . . . . 0.454 ' HA ' ' HD2' ' W' ' 560' ' ' PRO . 2.2 m-20 -102.94 110.81 64.28 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.104 -179.688 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' W' W ' 560' ' ' PRO . . . . . 0.531 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 1.9 Cg_endo -47.5 -37.33 25.9 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 121.999 1.8 . . . . 0.0 111.184 179.43 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' W' W ' 561' ' ' ARG . . . . . 0.419 ' HG3' ' HB3' ' W' ' 559' ' ' ASP . 0.0 OUTLIER -49.39 -29.83 6.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.833 179.539 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -129.73 -60.14 1.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.934 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' W' W ' 563' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' W' ' 559' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.347 -179.865 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' P' P ' 229' ' ' LEU . . . . . 0.476 ' HB2' ' CZ2' ' W' ' 557' ' ' TRP . 0.8 OUTLIER -112.01 92.14 17.39 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.716 0.293 . . . . 0.0 111.175 -179.908 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.54 103.69 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.583 2.189 . . . . 0.0 111.973 179.667 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 9.7 t . . . . . 0 C--N 1.326 -0.413 0 CA-C-O 121.159 0.504 . . . . 0.0 111.083 -179.656 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' W' W ' 531' ' ' LEU . . . . . 0.941 HD21 ' HG3' ' W' ' 537' ' ' MET . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.106 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' W' W ' 532' ' ' PRO . . . . . 0.48 ' HG2' ' HG2' ' W' ' 560' ' ' PRO . 76.2 Cg_exo -49.08 -174.09 0.0 OUTLIER 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.625 2.217 . . . . 0.0 113.371 -179.271 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' W' W ' 533' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 24.8 Cg_exo -64.79 -12.39 33.85 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.303 2.669 . . . . 0.0 115.424 -177.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' W' W ' 534' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -145.79 43.76 1.26 Allowed 'General case' 0 C--N 1.312 -1.04 0 C-N-CA 120.17 -0.612 . . . . 0.0 111.845 -178.866 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' W' W ' 535' ' ' TRP . . . . . 0.532 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 47.9 m95 -137.97 168.93 18.7 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -179.87 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' W' W ' 536' ' ' SER . . . . . 0.889 ' CA ' HD22 ' W' ' 531' ' ' LEU . 0.6 OUTLIER -159.2 -167.68 2.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.497 -179.961 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' W' W ' 537' ' ' MET . . . . . 0.941 ' HG3' HD21 ' W' ' 531' ' ' LEU . 17.5 mtp -129.02 152.94 48.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.001 -179.881 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' W' W ' 538' ' ' GLN . . . . . 0.74 ' CB ' HD11 ' W' ' 548' ' ' ILE . 4.3 tp-100 -168.45 129.81 1.32 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.038 179.844 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' W' W ' 539' ' ' VAL . . . . . 0.439 ' O ' HG13 ' W' ' 539' ' ' VAL . 13.7 p -84.7 125.72 40.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.667 179.735 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' W' W ' 540' ' ' ALA . . . . . 0.831 ' HB1' ' HD2' ' W' ' 541' ' ' PRO . . . -98.17 169.79 7.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.454 -179.489 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' W' W ' 541' ' ' PRO . . . . . 0.831 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 56.5 Cg_endo -70.85 -23.52 25.75 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.546 2.164 . . . . 0.0 111.855 179.719 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' W' W ' 542' ' ' ASN . . . . . 0.401 ' ND2' ' NE ' ' W' ' 544' ' ' ARG . 52.7 t30 -50.25 -32.63 17.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.697 179.684 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 123.98 -10.21 8.39 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.858 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' W' W ' 544' ' ' ARG . . . . . 0.529 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 2.2 ptp180 -131.35 158.28 41.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.048 0.452 . . . . 0.0 111.374 -179.804 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' W' W ' 545' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' W' ' 539' ' ' VAL . 0.3 OUTLIER -83.29 146.57 28.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.618 179.581 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' W' W ' 546' ' ' PHE . . . . . 0.791 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 5.8 p90 -118.59 -176.07 3.01 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.179 -179.66 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' W' W ' 547' ' ' PHE . . . . . 0.495 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.8 OUTLIER -120.88 118.36 29.73 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.294 0.568 . . . . 0.0 110.892 179.785 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' W' W ' 548' ' ' ILE . . . . . 0.74 HD11 ' CB ' ' W' ' 538' ' ' GLN . 3.3 mt -82.4 143.32 12.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.653 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -122.09 116.93 25.12 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.612 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -81.82 -26.41 34.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.186 -179.764 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -57.54 -38.36 74.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.881 179.837 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.67 -13.22 9.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.532 -179.903 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.98 43.1 0.33 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.833 0.349 . . . . 0.0 110.711 -179.75 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -131.56 -166.16 1.68 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 -179.836 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' W' W ' 555' ' ' THR . . . . . 0.425 HG22 ' HA ' ' W' ' 548' ' ' ILE . 38.8 p -142.22 176.2 9.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.275 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' W' W ' 556' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' W' ' 546' ' ' PHE . 10.0 t -167.29 167.27 14.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.369 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' W' W ' 557' ' ' TRP . . . . . 0.529 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 11.6 m95 -96.53 11.8 33.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.022 -179.63 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' W' W ' 558' ' ' ILE . . . . . 0.403 HG22 ' N ' ' W' ' 559' ' ' ASP . 6.5 mm -128.61 154.44 39.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.922 0.391 . . . . 0.0 111.774 -179.272 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' W' W ' 559' ' ' ASP . . . . . 0.412 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 1.2 p30 -99.8 114.19 65.5 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.943 -179.867 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' W' W ' 560' ' ' PRO . . . . . 0.532 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 9.4 Cg_endo -55.87 -19.21 24.51 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.368 2.045 . . . . 0.0 112.507 -179.856 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.01 -59.39 5.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.994 0.426 . . . . 0.0 110.296 179.746 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -112.94 -40.92 3.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.699 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.858 -0.686 . . . . 0.0 112.419 -179.89 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.796 -0.122 . . . . 0.0 112.796 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' P' P ' 229' ' ' LEU . . . . . 0.488 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 9.1 tp -101.72 110.4 61.89 Favored Pre-proline 0 C--N 1.329 -0.31 0 O-C-N 122.828 -0.219 . . . . 0.0 110.804 179.927 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -57.11 -154.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.38 2.054 . . . . 0.0 111.978 179.796 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.187 -179.952 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' W' W ' 531' ' ' LEU . . . . . 0.927 HD13 ' HA ' ' W' ' 536' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.724 0 CA-C-O 120.635 0.255 . . . . 0.0 111.574 . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' W' W ' 532' ' ' PRO . . . . . 0.478 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 72.6 Cg_exo -50.85 -173.55 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.584 2.189 . . . . 0.0 113.312 -179.574 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' W' W ' 533' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 17.3 Cg_exo -71.28 -9.08 24.73 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.571 2.848 . . . . 0.0 114.974 -178.177 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' W' W ' 534' ' ' ARG . . . . . 0.443 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 19.2 mmt85 -142.1 38.9 1.6 Allowed 'General case' 0 C--N 1.313 -0.98 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.903 -178.829 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' W' W ' 535' ' ' TRP . . . . . 0.533 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 31.3 m95 -139.31 169.59 17.49 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.359 0.599 . . . . 0.0 112.483 -179.65 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' W' W ' 536' ' ' SER . . . . . 0.927 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.1 OUTLIER -142.4 -158.95 0.91 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.29 179.936 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' W' W ' 537' ' ' MET . . . . . 0.911 ' HG3' HD22 ' W' ' 531' ' ' LEU . 17.3 mtp -148.79 126.89 12.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.689 179.798 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' W' W ' 538' ' ' GLN . . . . . 0.46 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 1.5 tp60 -152.46 132.6 13.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.136 -179.637 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' W' W ' 539' ' ' VAL . . . . . 0.721 HG22 ' CG2' ' W' ' 545' ' ' THR . 12.6 t -80.43 127.6 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.464 179.609 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' W' W ' 540' ' ' ALA . . . . . 0.669 ' HB2' ' CD1' ' W' ' 546' ' ' PHE . . . -91.15 141.34 26.25 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.159 -179.661 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -55.0 -23.42 34.99 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.542 2.162 . . . . 0.0 111.471 179.457 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -51.99 -34.37 42.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.718 179.642 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 130.37 -12.84 5.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.908 179.767 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' W' W ' 544' ' ' ARG . . . . . 0.52 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -126.56 155.38 42.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.973 0.416 . . . . 0.0 111.206 -179.799 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' W' W ' 545' ' ' THR . . . . . 0.721 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.2 OUTLIER -84.68 146.13 27.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.435 179.289 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' W' W ' 546' ' ' PHE . . . . . 0.669 ' CD1' ' HB2' ' W' ' 540' ' ' ALA . 5.3 p90 -121.16 179.3 4.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.059 179.927 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' W' W ' 547' ' ' PHE . . . . . 0.479 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.3 OUTLIER -124.93 120.64 32.19 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.552 179.707 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' W' W ' 548' ' ' ILE . . . . . 0.577 ' HA ' HG22 ' W' ' 555' ' ' THR . 2.8 mp -79.32 143.39 12.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.429 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' W' W ' 549' ' ' ASP . . . . . 0.45 ' OD1' ' CE2' ' W' ' 535' ' ' TRP . 32.0 t70 -123.76 119.73 30.61 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.972 -179.288 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' W' W ' 550' ' ' HIS . . . . . 0.436 ' N ' ' CD2' ' W' ' 550' ' ' HIS . 4.8 m170 -91.27 -23.78 20.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.777 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -60.93 -39.41 89.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.179 -179.827 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.35 -12.33 10.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.678 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' W' W ' 553' ' ' ARG . . . . . 0.419 ' HD3' ' O ' ' W' ' 550' ' ' HIS . 0.2 OUTLIER 74.84 55.16 0.08 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.772 0.32 . . . . 0.0 110.823 -179.756 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' W' W ' 554' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' W' ' 549' ' ' ASP . 14.3 mtp180 -155.0 172.27 18.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' W' W ' 555' ' ' THR . . . . . 0.577 HG22 ' HA ' ' W' ' 548' ' ' ILE . 67.5 p -123.75 -176.26 3.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.808 0.337 . . . . 0.0 111.061 179.829 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' W' W ' 556' ' ' THR . . . . . 0.448 ' CA ' HD11 ' P' ' 229' ' ' LEU . 1.0 OUTLIER -174.88 166.89 3.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.439 179.973 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' W' W ' 557' ' ' TRP . . . . . 0.52 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 25.9 m95 -91.93 21.0 5.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.14 179.701 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.3 mm -133.48 143.9 37.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.075 0.464 . . . . 0.0 111.898 -178.771 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' W' W ' 559' ' ' ASP . . . . . 0.433 ' HA ' ' HD2' ' W' ' 560' ' ' PRO . 3.4 m-20 -94.79 111.51 54.58 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.687 179.783 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' W' W ' 560' ' ' PRO . . . . . 0.533 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 3.6 Cg_endo -49.6 -35.24 36.99 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 121.99 1.793 . . . . 0.0 111.531 179.896 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.99 -41.57 47.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.788 179.539 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -116.51 -64.44 1.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.801 179.885 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.454 179.966 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' P' P ' 229' ' ' LEU . . . . . 0.497 ' HB2' ' CZ2' ' W' ' 557' ' ' TRP . 0.5 OUTLIER -105.57 100.59 27.44 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 120.519 0.199 . . . . 0.0 111.123 -179.701 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -56.38 93.8 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.331 2.021 . . . . 0.0 111.619 179.539 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 5.8 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.485 -179.442 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' W' W ' 531' ' ' LEU . . . . . 0.655 HD13 ' HA ' ' W' ' 536' ' ' SER . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' W' W ' 532' ' ' PRO . . . . . 0.486 ' HB2' ' CD1' ' W' ' 535' ' ' TRP . 71.9 Cg_exo -49.67 -176.01 0.01 OUTLIER 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 122.468 2.112 . . . . 0.0 113.5 -178.734 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' W' W ' 533' ' ' PRO . . . . . 0.44 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 17.1 Cg_exo -71.15 -1.11 9.07 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.584 2.856 . . . . 0.0 115.153 -177.893 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' W' W ' 534' ' ' ARG . . . . . 0.439 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 6.1 mmt180 -151.17 38.46 0.65 Allowed 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 120.211 -0.596 . . . . 0.0 111.492 -179.189 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' W' W ' 535' ' ' TRP . . . . . 0.518 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 31.8 m95 -139.24 168.91 18.76 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.34 0.591 . . . . 0.0 112.439 -179.632 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' W' W ' 536' ' ' SER . . . . . 0.655 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.1 OUTLIER -146.32 -157.31 0.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.334 -179.826 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' W' W ' 537' ' ' MET . . . . . 0.42 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 28.3 mtp -149.17 128.9 13.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.797 0.332 . . . . 0.0 110.85 179.889 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' W' W ' 538' ' ' GLN . . . . . 0.46 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 0.7 OUTLIER -153.21 134.6 14.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.041 -179.713 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' W' W ' 539' ' ' VAL . . . . . 0.601 HG22 ' CG2' ' W' ' 545' ' ' THR . 2.3 t -81.56 133.1 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.767 179.828 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' W' W ' 540' ' ' ALA . . . . . 0.705 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -99.14 154.93 37.07 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.234 -179.712 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -61.75 -25.51 78.74 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.528 2.152 . . . . 0.0 111.655 179.678 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -50.16 -34.41 22.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.835 179.711 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 126.62 -8.45 7.34 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.944 179.889 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' W' W ' 544' ' ' ARG . . . . . 0.519 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -130.88 154.49 48.02 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.946 0.403 . . . . 0.0 111.237 -179.801 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' W' W ' 545' ' ' THR . . . . . 0.601 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.8 OUTLIER -82.16 146.49 29.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.759 179.628 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' W' W ' 546' ' ' PHE . . . . . 0.705 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 5.3 p90 -119.56 -176.5 3.17 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 -179.893 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' W' W ' 547' ' ' PHE . . . . . 0.496 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.6 OUTLIER -125.85 123.71 39.28 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.584 179.716 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' W' W ' 548' ' ' ILE . . . . . 0.586 HG13 HG22 ' W' ' 555' ' ' THR . 2.7 mp -85.4 149.79 4.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.798 -179.64 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -126.77 116.44 20.91 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' W' W ' 550' ' ' HIS . . . . . 0.419 ' N ' ' CD2' ' W' ' 550' ' ' HIS . 6.7 m170 -81.56 -29.94 33.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.999 -179.853 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -48.88 -33.96 11.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.144 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.76 7.2 3.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.658 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 58.91 61.35 2.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.612 0.244 . . . . 0.0 111.085 179.952 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' W' W ' 554' ' ' ARG . . . . . 0.404 ' HB2' ' CZ ' ' W' ' 554' ' ' ARG . 13.2 mtm105 -144.6 -166.17 2.32 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.853 0.359 . . . . 0.0 111.415 -179.877 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' W' W ' 555' ' ' THR . . . . . 0.586 HG22 HG13 ' W' ' 548' ' ' ILE . 65.2 p -146.78 -178.4 6.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.801 179.938 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.21 163.2 2.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.214 179.766 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' W' W ' 557' ' ' TRP . . . . . 0.519 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 18.8 m95 -88.58 16.26 6.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.71 -179.887 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.0 mm -128.02 143.14 41.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.036 0.446 . . . . 0.0 111.858 -178.938 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' W' W ' 559' ' ' ASP . . . . . 0.435 ' HA ' ' HD2' ' W' ' 560' ' ' PRO . 1.4 m-20 -98.48 111.28 59.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.122 -179.61 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' W' W ' 560' ' ' PRO . . . . . 0.518 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 5.6 Cg_endo -50.93 -34.6 46.5 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 121.962 1.775 . . . . 0.0 111.44 179.682 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' W' W ' 561' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.84 -29.39 40.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.709 179.483 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -130.36 -67.21 0.74 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' W' W ' 563' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' W' ' 559' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.467 -179.959 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' P' P ' 228' ' ' GLY . . . . . 0.403 ' O ' ' HD3' ' P' ' 230' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' P' P ' 229' ' ' LEU . . . . . 0.5 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 4.1 tp -101.75 104.04 32.47 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 120.481 0.181 . . . . 0.0 110.863 179.903 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' P' P ' 230' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' P' ' 228' ' ' GLY . 14.4 Cg_exo -69.64 110.51 2.55 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.676 2.25 . . . . 0.0 111.966 -179.899 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 19.5 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.06 -179.827 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' W' W ' 531' ' ' LEU . . . . . 0.988 HD21 ' HG3' ' W' ' 537' ' ' MET . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.554 0.216 . . . . 0.0 110.441 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' W' W ' 532' ' ' PRO . . . . . 0.47 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 70.8 Cg_exo -50.76 -174.2 0.01 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.427 2.084 . . . . 0.0 112.954 -179.435 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' W' W ' 533' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 22.1 Cg_exo -68.43 -12.15 34.02 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.282 2.655 . . . . 0.0 115.223 -178.056 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' W' W ' 534' ' ' ARG . . . . . 0.446 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 19.2 mmt180 -142.2 45.35 1.65 Allowed 'General case' 0 C--N 1.314 -0.97 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.744 -178.833 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' W' W ' 535' ' ' TRP . . . . . 0.518 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 41.3 m95 -143.32 169.2 18.09 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -179.65 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' W' W ' 536' ' ' SER . . . . . 0.81 ' HA ' HD22 ' W' ' 531' ' ' LEU . 0.3 OUTLIER -154.95 -163.77 1.64 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.332 179.906 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' W' W ' 537' ' ' MET . . . . . 0.988 ' HG3' HD21 ' W' ' 531' ' ' LEU . 5.2 mtt -131.28 153.22 49.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.075 -179.741 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' W' W ' 538' ' ' GLN . . . . . 0.547 ' HB2' HD11 ' W' ' 548' ' ' ILE . 4.8 tp-100 -169.17 128.49 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.789 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' W' W ' 539' ' ' VAL . . . . . 0.784 HG22 ' CG2' ' W' ' 545' ' ' THR . 17.9 t -85.44 125.67 40.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.575 179.66 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' W' W ' 540' ' ' ALA . . . . . 0.812 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -100.53 152.55 37.87 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.423 -179.388 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_exo -60.46 -25.61 80.9 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.666 2.244 . . . . 0.0 111.512 179.545 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -47.18 -34.03 5.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.667 179.674 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 126.32 -10.43 7.3 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.747 179.833 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' W' W ' 544' ' ' ARG . . . . . 0.512 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.1 OUTLIER -131.3 155.24 47.52 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.942 0.401 . . . . 0.0 111.16 -179.936 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' W' W ' 545' ' ' THR . . . . . 0.784 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.6 OUTLIER -80.37 146.11 31.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.16 179.221 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' W' W ' 546' ' ' PHE . . . . . 0.812 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 4.7 p90 -118.44 169.54 9.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.885 0.374 . . . . 0.0 110.958 179.884 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' W' W ' 547' ' ' PHE . . . . . 0.677 ' CE2' HD23 ' W' ' 531' ' ' LEU . 0.6 OUTLIER -115.64 129.31 56.45 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.476 0.655 . . . . 0.0 111.05 -179.558 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' W' W ' 548' ' ' ILE . . . . . 0.631 HG13 HG22 ' W' ' 555' ' ' THR . 2.7 mp -89.21 151.25 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.678 -179.817 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' W' W ' 549' ' ' ASP . . . . . 0.436 ' OD2' ' CZ2' ' W' ' 535' ' ' TRP . 7.1 t70 -128.67 115.32 17.85 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.926 -179.758 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' W' W ' 550' ' ' HIS . . . . . 0.415 ' HB2' ' HD3' ' W' ' 534' ' ' ARG . 7.2 m170 -82.31 -24.58 34.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -54.94 -39.9 69.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.757 179.706 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.86 -4.33 8.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.549 179.911 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 66.59 64.09 0.5 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.836 0.35 . . . . 0.0 110.841 -179.666 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -152.7 -174.97 5.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.801 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' W' W ' 555' ' ' THR . . . . . 0.631 HG22 HG13 ' W' ' 548' ' ' ILE . 41.3 p -137.78 171.21 14.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 179.792 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 1.8 t -164.52 169.97 16.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.064 0.459 . . . . 0.0 111.385 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' W' W ' 557' ' ' TRP . . . . . 0.512 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 27.7 m95 -93.49 19.87 7.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.144 179.795 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 4.6 mm -133.36 137.27 53.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.916 0.388 . . . . 0.0 111.572 -179.133 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' W' W ' 559' ' ' ASP . . . . . 0.499 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 21.9 p30 -97.71 114.39 64.89 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.687 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' W' W ' 560' ' ' PRO . . . . . 0.518 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 5.1 Cg_endo -50.54 -35.97 47.9 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.374 2.049 . . . . 0.0 112.217 -179.766 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' W' W ' 561' ' ' ARG . . . . . 0.429 ' CG ' ' HB2' ' W' ' 559' ' ' ASP . 0.1 OUTLIER -49.02 -32.33 9.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.925 179.823 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' W' W ' 562' ' ' ASN . . . . . 0.411 ' ND2' ' OD2' ' W' ' 559' ' ' ASP . 3.0 m-20 -129.35 -63.71 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.725 -179.918 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.612 179.92 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' P' P ' 229' ' ' LEU . . . . . 0.495 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 0.4 OUTLIER -105.91 101.01 31.09 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.624 0.25 . . . . 0.0 111.013 -179.892 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -57.58 104.52 0.16 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.363 2.042 . . . . 0.0 112.058 179.808 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 16.7 t . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.256 -179.786 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' W' W ' 521' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.172 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' W' W ' 522' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.03 141.31 69.66 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.647 2.231 . . . . 0.0 112.326 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 71.81 -71.78 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.955 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -66.64 86.08 0.11 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.461 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.06 173.35 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.337 . . . . 0.0 110.819 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . 87.69 70.01 1.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.492 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -110.84 50.99 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -159.69 177.27 11.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.812 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 529' ' ' GLU . . . . . 0.452 ' HB3' ' NE ' ' W' ' 561' ' ' ARG . 1.7 tp10 -65.44 114.14 14.42 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.765 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -47.74 136.58 21.8 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.44 2.093 . . . . 0.0 112.581 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 531' ' ' LEU . . . . . 0.807 HD13 ' HA ' ' W' ' 536' ' ' SER . 0.3 OUTLIER -68.27 140.49 92.98 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.937 179.343 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' W' W ' 532' ' ' PRO . . . . . 0.442 ' HG2' ' HG2' ' W' ' 560' ' ' PRO . 83.4 Cg_exo -49.0 179.16 0.01 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.218 1.945 . . . . 0.0 112.674 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 533' ' ' PRO . . . . . 0.44 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 93.1 Cg_exo -45.55 -40.02 17.85 Favored 'Trans proline' 0 CA--C 1.515 -0.442 0 C-N-CA 123.337 2.691 . . . . 0.0 115.335 -178.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 534' ' ' ARG . . . . . 0.434 ' HB3' ' N ' ' W' ' 551' ' ' ALA . 11.2 mmm180 -131.88 63.76 1.61 Allowed 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.713 -178.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 535' ' ' TRP . . . . . 0.556 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 70.4 m95 -150.11 162.22 40.84 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 536' ' ' SER . . . . . 0.807 ' HA ' HD13 ' W' ' 531' ' ' LEU . 1.7 m -145.49 -171.81 3.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.001 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 537' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.39 123.59 8.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.973 0.416 . . . . 0.0 111.342 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 538' ' ' GLN . . . . . 0.487 ' HB2' HD11 ' W' ' 548' ' ' ILE . 0.3 OUTLIER -144.41 140.63 29.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.632 179.702 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' W' W ' 539' ' ' VAL . . . . . 0.491 ' HA ' HG22 ' W' ' 545' ' ' THR . 7.3 p -79.02 136.23 24.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 540' ' ' ALA . . . . . 0.806 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -101.52 168.54 8.95 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 541' ' ' PRO . . . . . 0.797 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 54.3 Cg_endo -69.79 -23.92 30.14 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.513 2.142 . . . . 0.0 112.113 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 542' ' ' ASN . . . . . 0.411 ' ND2' ' HD2' ' W' ' 544' ' ' ARG . 35.5 t-20 -52.62 -31.92 39.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.712 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 123.13 -8.15 9.13 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.036 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 544' ' ' ARG . . . . . 0.524 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 0.1 OUTLIER -129.57 158.59 38.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.992 0.425 . . . . 0.0 111.25 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' W' W ' 545' ' ' THR . . . . . 0.491 HG22 ' HA ' ' W' ' 539' ' ' VAL . 2.1 p -87.88 147.11 25.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.212 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 546' ' ' PHE . . . . . 0.806 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 4.0 p90 -120.16 -175.04 2.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.044 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 547' ' ' PHE . . . . . 0.522 ' CE2' HD23 ' W' ' 531' ' ' LEU . 2.5 m-85 -125.78 116.39 21.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.748 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 548' ' ' ILE . . . . . 0.487 HD11 ' HB2' ' W' ' 538' ' ' GLN . 3.5 mt -79.89 135.75 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -102.72 111.96 24.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.656 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 550' ' ' HIS . . . . . 0.411 ' HB2' ' HB3' ' W' ' 534' ' ' ARG . 29.2 m-70 -81.32 -23.54 37.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.074 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 551' ' ' ALA . . . . . 0.434 ' N ' ' HB3' ' W' ' 534' ' ' ARG . . . -59.93 -38.92 83.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.067 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.52 19.47 3.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.93 76.44 0.11 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.81 0.338 . . . . 0.0 111.166 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -150.02 -162.95 1.66 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.954 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 59.8 p -155.22 157.92 38.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 556' ' ' THR . . . . . 0.458 HG22 ' HZ3' ' W' ' 535' ' ' TRP . 4.3 t -155.61 157.08 36.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.046 0.45 . . . . 0.0 111.219 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 557' ' ' TRP . . . . . 0.524 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 17.0 m95 -80.71 -21.41 41.24 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.807 -179.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 558' ' ' ILE . . . . . 0.6 HG23 ' C ' ' W' ' 564' ' ' ARG . 2.6 mt -100.29 133.29 43.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.952 0.406 . . . . 0.0 111.527 -179.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 559' ' ' ASP . . . . . 0.421 ' CB ' ' CE1' ' W' ' 547' ' ' PHE . 2.7 p30 -72.31 141.06 82.92 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.99 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 560' ' ' PRO . . . . . 0.556 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 22.0 Cg_endo -84.34 -27.33 1.47 Allowed 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.536 2.157 . . . . 0.0 111.948 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 561' ' ' ARG . . . . . 0.452 ' NE ' ' HB3' ' W' ' 529' ' ' GLU . 0.3 OUTLIER -54.61 -24.03 19.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.894 179.828 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -139.26 -57.31 0.59 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.593 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 121.62 34.31 0.87 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.414 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 564' ' ' ARG . . . . . 0.6 ' C ' HG23 ' W' ' 558' ' ' ILE . 0.0 OUTLIER -125.45 143.11 51.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 110.933 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' W' W ' 565' ' ' ALA . . . . . 0.412 ' HA ' ' HA ' ' W' ' 558' ' ' ILE . . . -55.67 133.68 50.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 99.99 110.85 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 227' ' ' THR . . . . . 0.407 ' OG1' ' N ' ' P' ' 228' ' ' GLY . 73.1 p . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.841 0.353 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 228' ' ' GLY . . . . . 0.407 ' N ' ' OG1' ' P' ' 227' ' ' THR . . . 99.02 -140.12 14.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.677 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 229' ' ' LEU . . . . . 0.504 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 32.0 tp 64.01 76.25 0.35 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.74 0.305 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -61.99 99.11 0.18 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.595 2.197 . . . . 0.0 112.122 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 10.4 p -49.55 156.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.015 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 232' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -50.07 92.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.004 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 171.51 -32.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.91 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.4 -44.06 5.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.009 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -81.19 64.53 5.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.052 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.21 35.58 1.35 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 33.5 m170 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 99.99 110.847 180.0 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' W' W ' 521' ' ' GLY . . . . . 0.57 ' N ' ' HD2' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.453 0 N-CA-C 110.099 -1.2 . . . . 99.99 110.099 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 522' ' ' PRO . . . . . 0.57 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 70.4 Cg_endo -74.69 179.18 6.23 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.632 2.221 . . . . 0.0 112.288 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 523' ' ' LEU . . . . . 0.402 HD12 ' H ' ' W' ' 523' ' ' LEU . 2.4 mp -66.21 98.72 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -59.78 144.0 46.52 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.488 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.04 144.89 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.858 0.361 . . . . 0.0 110.937 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . 98.69 151.87 27.27 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.474 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.87 67.26 0.93 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.835 0.35 . . . . 0.0 110.781 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -136.62 116.1 12.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.962 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 529' ' ' GLU . . . . . 0.424 ' HB3' ' CD ' ' W' ' 561' ' ' ARG . 21.0 mt-10 61.86 89.55 0.1 Allowed Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.998 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -80.4 54.82 5.4 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.904 2.403 . . . . 0.0 112.97 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 531' ' ' LEU . . . . . 0.787 HD13 ' HA ' ' W' ' 536' ' ' SER . 1.1 mt 59.97 114.85 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.768 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 532' ' ' PRO . . . . . 0.541 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 92.4 Cg_exo -46.5 179.76 0.0 OUTLIER 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 123.005 2.47 . . . . 0.0 112.831 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 533' ' ' PRO . . . . . 0.541 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 25.2 Cg_exo -36.04 -62.36 0.25 Allowed 'Trans proline' 0 CA--C 1.517 -0.37 0 C-N-CA 123.473 2.782 . . . . 0.0 114.667 -179.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 534' ' ' ARG . . . . . 0.474 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 10.5 mmm180 -116.33 73.37 0.85 Allowed 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.759 -178.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 535' ' ' TRP . . . . . 0.565 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 83.7 m95 -157.38 152.63 26.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.796 -179.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 536' ' ' SER . . . . . 0.787 ' HA ' HD13 ' W' ' 531' ' ' LEU . 1.4 m -146.06 -171.87 3.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.068 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 537' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.04 134.17 18.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.943 0.402 . . . . 0.0 110.99 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 538' ' ' GLN . . . . . 0.475 ' O ' ' CD1' ' W' ' 546' ' ' PHE . 0.0 OUTLIER -145.06 141.79 29.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.801 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' W' W ' 539' ' ' VAL . . . . . 0.855 HG22 ' CG2' ' W' ' 545' ' ' THR . 39.9 t -76.15 139.44 18.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.0 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 540' ' ' ALA . . . . . 0.817 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -109.63 165.57 12.4 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.415 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 541' ' ' PRO . . . . . 0.7 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 47.8 Cg_endo -68.55 -24.96 35.32 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.603 2.202 . . . . 0.0 111.838 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -53.18 -36.79 61.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.723 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 128.8 -9.53 6.39 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.06 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 544' ' ' ARG . . . . . 0.527 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 1.3 ptm180 -128.04 156.81 42.17 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.003 0.43 . . . . 0.0 111.342 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 545' ' ' THR . . . . . 0.855 ' CG2' HG22 ' W' ' 539' ' ' VAL . 1.4 p -83.29 146.42 28.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.165 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 546' ' ' PHE . . . . . 0.817 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 9.1 p90 -122.13 -174.63 2.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 547' ' ' PHE . . . . . 0.505 ' CE1' ' HB3' ' W' ' 559' ' ' ASP . 3.3 m-85 -114.33 165.59 12.55 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.08 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 548' ' ' ILE . . . . . 0.432 ' CG2' ' CD2' ' P' ' 232' ' ' TYR . 16.6 mt -130.9 108.47 15.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.388 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 549' ' ' ASP . . . . . 0.49 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 19.7 t70 -82.87 109.04 16.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.78 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 550' ' ' HIS . . . . . 0.419 ' HB2' ' HB3' ' W' ' 534' ' ' ARG . 35.3 m-70 -80.16 -25.51 39.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -57.87 -30.99 66.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.28 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.83 20.18 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.303 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 5.9 mmt85 47.28 76.17 0.11 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.218 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -149.53 -173.84 4.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.85 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 555' ' ' THR . . . . . 0.694 ' HB ' HD11 ' P' ' 229' ' ' LEU . 71.1 p -146.12 158.32 43.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.94 0.4 . . . . 0.0 111.405 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 556' ' ' THR . . . . . 0.42 HG23 ' HB2' ' W' ' 547' ' ' PHE . 7.4 t -151.07 164.21 36.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.263 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 557' ' ' TRP . . . . . 0.527 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 14.8 m95 -89.86 -16.26 30.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.964 -179.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 558' ' ' ILE . . . . . 0.553 HD13 ' HA ' ' W' ' 565' ' ' ALA . 10.0 mm -114.45 143.83 23.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.017 0.437 . . . . 0.0 111.782 -179.042 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 559' ' ' ASP . . . . . 0.505 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 2.1 p30 -76.07 141.54 71.16 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.695 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 560' ' ' PRO . . . . . 0.565 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 30.2 Cg_endo -86.01 -23.44 2.01 Favored 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 122.629 2.219 . . . . 0.0 112.222 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 561' ' ' ARG . . . . . 0.424 ' CD ' ' HB3' ' W' ' 529' ' ' GLU . 0.0 OUTLIER -53.69 -29.66 40.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.008 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' W' W ' 562' ' ' ASN . . . . . 0.404 ' ND2' ' OD1' ' W' ' 559' ' ' ASP . 11.8 p30 -145.28 -47.59 0.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.04 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 121.75 30.01 1.32 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.88 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 43.8 mtp85 -111.58 148.09 34.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 110.877 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 565' ' ' ALA . . . . . 0.553 ' HA ' HD13 ' W' ' 558' ' ' ILE . . . -62.72 144.93 55.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 10.5 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 99.99 110.95 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.799 0.333 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 228' ' ' GLY . . . . . 0.401 ' O ' ' HD3' ' P' ' 230' ' ' PRO . . . -157.24 86.14 0.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.543 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 229' ' ' LEU . . . . . 0.694 HD11 ' HB ' ' W' ' 555' ' ' THR . 25.3 tp -112.7 90.49 15.17 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.744 0.307 . . . . 0.0 110.886 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 230' ' ' PRO . . . . . 0.811 ' HB2' ' HB2' ' P' ' 235' ' ' ALA . 46.8 Cg_exo -55.86 121.18 9.51 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.496 2.13 . . . . 0.0 112.221 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 231' ' ' SER . . . . . 0.415 ' O ' ' N ' ' P' ' 233' ' ' ASP . 4.1 m -63.22 166.38 6.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.888 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 232' ' ' TYR . . . . . 0.432 ' CD2' ' CG2' ' W' ' 548' ' ' ILE . 2.4 t80 -56.24 86.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 233' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' P' ' 231' ' ' SER . 0.7 OUTLIER 177.1 -82.26 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.146 179.891 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -59.71 -22.95 62.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.226 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 235' ' ' ALA . . . . . 0.811 ' HB2' ' HB2' ' P' ' 230' ' ' PRO . . . -89.65 59.9 4.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.242 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.03 26.64 1.5 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.057 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 99.99 110.834 179.915 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' W' W ' 521' ' ' GLY . . . . . 0.536 ' N ' ' HD2' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.484 0 N-CA-C 110.105 -1.198 . . . . 99.99 110.105 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 522' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 71.8 Cg_endo -77.2 -19.32 13.61 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.664 2.243 . . . . 0.0 112.544 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.36 33.45 2.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.081 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -91.82 40.62 2.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.533 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.58 31.26 3.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.926 0.393 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . 147.77 132.93 2.28 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.606 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -143.42 47.62 1.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.657 0.265 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -113.53 22.08 14.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.192 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 529' ' ' GLU . . . . . 0.431 ' O ' ' NE ' ' W' ' 561' ' ' ARG . 5.2 tp10 50.3 79.34 0.35 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.041 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -47.35 164.55 0.13 Allowed 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.446 2.097 . . . . 0.0 112.347 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 531' ' ' LEU . . . . . 0.894 HD23 ' CE2' ' W' ' 547' ' ' PHE . 0.2 OUTLIER -69.82 136.72 87.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.4 179.629 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' W' W ' 532' ' ' PRO . . . . . 0.469 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 81.9 Cg_exo -48.15 179.65 0.01 OUTLIER 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 122.501 2.134 . . . . 0.0 112.724 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 533' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 82.3 Cg_exo -43.65 -50.67 6.85 Favored 'Trans proline' 0 CA--C 1.516 -0.406 0 C-N-CA 123.383 2.722 . . . . 0.0 115.179 -178.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 534' ' ' ARG . . . . . 0.481 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 23.3 mmt180 -120.88 67.17 0.86 Allowed 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.629 -178.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 535' ' ' TRP . . . . . 0.557 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 81.0 m95 -154.22 156.14 36.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.159 0.505 . . . . 0.0 111.958 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 536' ' ' SER . . . . . 0.84 ' HA ' HD13 ' W' ' 531' ' ' LEU . 2.1 m -143.73 -171.78 3.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.057 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 537' ' ' MET . . . . . 0.456 ' HG3' HD21 ' W' ' 531' ' ' LEU . 0.3 OUTLIER -149.4 141.13 23.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.954 0.407 . . . . 0.0 111.455 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' W' W ' 538' ' ' GLN . . . . . 0.464 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 0.0 OUTLIER -164.22 135.91 4.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.486 179.767 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' W' W ' 539' ' ' VAL . . . . . 0.911 HG22 HG23 ' W' ' 545' ' ' THR . 21.3 t -69.35 141.03 17.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.962 0.41 . . . . 0.0 111.471 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 540' ' ' ALA . . . . . 0.918 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -107.68 169.78 6.29 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.1 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 541' ' ' PRO . . . . . 0.805 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 58.3 Cg_endo -71.4 -18.9 29.42 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.656 2.237 . . . . 0.0 112.398 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -60.54 -34.96 74.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 129.83 -12.81 5.87 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.593 -0.813 . . . . 0.0 113.007 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 544' ' ' ARG . . . . . 0.518 ' HG3' ' CE3' ' W' ' 557' ' ' TRP . 2.2 ptm180 -127.67 158.8 36.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.9 0.35 . . . . 0.0 111.14 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 545' ' ' THR . . . . . 0.911 HG23 HG22 ' W' ' 539' ' ' VAL . 0.6 OUTLIER -82.7 146.76 28.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.243 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' W' W ' 546' ' ' PHE . . . . . 0.918 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 4.1 p90 -122.29 161.57 23.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.071 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 547' ' ' PHE . . . . . 0.894 ' CE2' HD23 ' W' ' 531' ' ' LEU . 1.9 m-85 -102.68 122.39 44.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.979 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 548' ' ' ILE . . . . . 0.504 ' CG2' ' CD2' ' P' ' 232' ' ' TYR . 2.9 mp -80.6 133.88 28.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.837 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 549' ' ' ASP . . . . . 0.473 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 17.7 t0 -108.57 107.09 17.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -78.68 -26.64 45.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.018 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -56.4 -26.15 52.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.9 16.75 1.41 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.435 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? 50.26 65.86 1.32 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.817 0.341 . . . . 0.0 111.039 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.54 -162.05 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.067 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 555' ' ' THR . . . . . 0.527 ' O ' HD21 ' P' ' 229' ' ' LEU . 46.5 p -156.83 161.73 39.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.966 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 556' ' ' THR . . . . . 0.598 ' N ' HD11 ' P' ' 229' ' ' LEU . 14.5 t -155.62 167.37 30.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.95 0.405 . . . . 0.0 111.325 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 557' ' ' TRP . . . . . 0.518 ' CE3' ' HG3' ' W' ' 544' ' ' ARG . 11.5 m95 -93.76 -21.3 19.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.502 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 558' ' ' ILE . . . . . 0.543 HD13 ' HA ' ' W' ' 565' ' ' ALA . 5.0 mm -105.57 133.46 49.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.333 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 559' ' ' ASP . . . . . 0.505 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 8.8 p30 -69.55 143.88 93.45 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.231 -179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 560' ' ' PRO . . . . . 0.557 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 37.5 Cg_endo -87.48 -20.27 2.14 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 122.742 2.295 . . . . 0.0 112.292 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 561' ' ' ARG . . . . . 0.431 ' NE ' ' O ' ' W' ' 529' ' ' GLU . 0.1 OUTLIER -56.57 -27.75 58.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.036 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' W' W ' 562' ' ' ASN . . . . . 0.403 ' ND2' ' HD2' ' W' ' 561' ' ' ARG . 8.1 p30 -144.27 -49.36 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 117.84 44.16 0.55 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -134.2 146.86 50.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.78 0.324 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 565' ' ' ALA . . . . . 0.543 ' HA ' HD13 ' W' ' 558' ' ' ILE . . . -54.76 112.54 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.03 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 36.8 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 99.99 110.966 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 71.0 p . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.799 0.333 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . 146.79 -29.06 1.58 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.543 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 229' ' ' LEU . . . . . 0.598 HD11 ' N ' ' W' ' 556' ' ' THR . 49.7 tp -48.25 103.34 0.36 Allowed Pre-proline 0 C--N 1.331 -0.22 0 CA-C-O 120.47 0.176 . . . . 0.0 111.0 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 230' ' ' PRO . . . . . 0.404 ' HG2' ' CZ ' ' W' ' 546' ' ' PHE . 33.5 Cg_exo -58.94 -151.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.219 1.946 . . . . 0.0 111.648 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 231' ' ' SER . . . . . 0.417 ' O ' ' N ' ' P' ' 233' ' ' ASP . 9.4 p -156.44 152.12 27.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.782 0.325 . . . . 0.0 110.956 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 232' ' ' TYR . . . . . 0.504 ' CD2' ' CG2' ' W' ' 548' ' ' ILE . 2.5 t80 -55.4 87.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.735 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 233' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' P' ' 231' ' ' SER . 40.3 t0 -177.99 -66.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -96.54 24.96 5.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.894 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -130.87 41.9 3.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.995 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 1.2 mp -136.56 -45.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 99.99 110.912 179.956 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' W' W ' 521' ' ' GLY . . . . . 0.583 ' N ' ' HD2' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.475 0 N-CA-C 110.109 -1.196 . . . . 99.99 110.109 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 522' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 73.2 Cg_endo -74.24 -31.86 7.19 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.585 2.19 . . . . 0.0 112.239 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -158.34 49.08 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.951 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -89.0 88.5 1.53 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.49 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 77.1 p -104.76 -30.63 9.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.841 0.353 . . . . 0.0 110.932 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . 120.18 153.6 9.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.544 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -84.4 82.51 8.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.746 0.308 . . . . 0.0 111.016 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 69.47 90.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 529' ' ' GLU . . . . . 0.422 ' O ' ' CZ ' ' W' ' 561' ' ' ARG . 1.5 tp10 -76.91 135.84 67.07 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.769 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_exo -56.61 152.12 42.9 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.579 2.186 . . . . 0.0 112.608 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 531' ' ' LEU . . . . . 0.634 HD22 ' N ' ' W' ' 531' ' ' LEU . 2.1 mm? -80.55 145.31 58.55 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.506 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 532' ' ' PRO . . . . . 0.481 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 75.0 Cg_exo -48.94 -178.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.603 2.202 . . . . 0.0 112.798 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 533' ' ' PRO . . . . . 0.481 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 92.1 Cg_exo -45.5 -43.01 18.15 Favored 'Trans proline' 0 CA--C 1.516 -0.409 0 C-N-CA 123.312 2.675 . . . . 0.0 114.898 -178.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 534' ' ' ARG . . . . . 0.446 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 13.3 mmm180 -127.43 64.23 1.34 Allowed 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.529 -178.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 535' ' ' TRP . . . . . 0.535 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 67.0 m95 -149.79 160.55 43.47 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.162 0.506 . . . . 0.0 112.181 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 536' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.3 -156.31 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.386 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 537' ' ' MET . . . . . 0.435 ' HG3' HD11 ' W' ' 531' ' ' LEU . 26.9 mtp -157.13 131.64 8.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 0.0 111.034 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 538' ' ' GLN . . . . . 0.515 ' HB2' HD11 ' W' ' 548' ' ' ILE . 0.3 OUTLIER -149.86 150.09 31.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.953 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' W' W ' 539' ' ' VAL . . . . . 0.474 ' HA ' HG22 ' W' ' 545' ' ' THR . 14.4 p -92.45 136.4 24.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.896 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 540' ' ' ALA . . . . . 0.795 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -106.97 167.1 9.96 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.157 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 541' ' ' PRO . . . . . 0.753 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 57.6 Cg_endo -71.07 -23.26 25.11 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.5 2.134 . . . . 0.0 111.961 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 542' ' ' ASN . . . . . 0.431 ' ND2' ' HD3' ' W' ' 544' ' ' ARG . 30.5 t30 -51.58 -31.11 23.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.621 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 122.68 -9.69 9.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.599 -0.81 . . . . 0.0 113.05 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 544' ' ' ARG . . . . . 0.514 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 0.2 OUTLIER -131.1 153.92 48.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.986 0.422 . . . . 0.0 111.295 -179.794 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' W' W ' 545' ' ' THR . . . . . 0.474 HG22 ' HA ' ' W' ' 539' ' ' VAL . 0.9 OUTLIER -81.0 146.56 30.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.506 179.592 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' W' W ' 546' ' ' PHE . . . . . 0.795 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 6.3 p90 -118.07 -175.62 2.89 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.209 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 547' ' ' PHE . . . . . 0.496 ' CZ ' ' HB3' ' W' ' 559' ' ' ASP . 12.1 m-85 -123.2 121.54 36.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.156 0.503 . . . . 0.0 110.687 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 548' ' ' ILE . . . . . 0.515 HD11 ' HB2' ' W' ' 538' ' ' GLN . 3.7 mp -86.32 140.36 15.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.481 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 549' ' ' ASP . . . . . 0.444 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 61.3 t0 -121.01 114.44 21.51 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 550' ' ' HIS . . . . . 0.464 ' CE1' ' HH ' ' P' ' 232' ' ' TYR . 11.3 m-70 -81.85 -20.08 39.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.254 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.68 -34.84 79.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.34 . . . . 0.0 111.255 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.72 3.08 8.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.787 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 553' ' ' ARG . . . . . 0.49 ' HA ' ' CD2' ' P' ' 232' ' ' TYR . 0.8 OUTLIER 58.24 48.63 12.37 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.742 0.306 . . . . 0.0 110.877 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -145.36 158.48 43.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 555' ' ' THR . . . . . 0.502 ' OG1' HD21 ' P' ' 229' ' ' LEU . 61.7 p -110.37 169.81 8.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.769 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 556' ' ' THR . . . . . 0.552 ' N ' HD11 ' P' ' 229' ' ' LEU . 1.8 t -158.35 160.21 36.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.002 0.43 . . . . 0.0 111.324 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 557' ' ' TRP . . . . . 0.514 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 20.4 m95 -91.61 15.87 11.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.392 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -133.28 141.37 44.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.932 0.396 . . . . 0.0 111.319 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 559' ' ' ASP . . . . . 0.496 ' HB3' ' CZ ' ' W' ' 547' ' ' PHE . 2.2 p30 -84.29 133.2 45.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.097 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 560' ' ' PRO . . . . . 0.535 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 17.6 Cg_endo -81.91 -32.57 0.77 Allowed 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.334 2.023 . . . . 0.0 111.632 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 561' ' ' ARG . . . . . 0.422 ' CZ ' ' O ' ' W' ' 529' ' ' GLU . 0.2 OUTLIER -49.7 -25.74 3.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.889 179.666 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -136.45 -48.16 0.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.713 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 108.66 44.2 1.16 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.302 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.17 154.66 50.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.808 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -68.08 145.83 54.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.191 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 99.99 110.781 179.902 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.868 0.366 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . -142.54 79.31 0.26 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.41 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 229' ' ' LEU . . . . . 0.552 HD11 ' N ' ' W' ' 556' ' ' THR . 0.4 OUTLIER -99.6 106.25 38.81 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.535 0.207 . . . . 0.0 110.966 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' P' P ' 230' ' ' PRO . . . . . 0.86 ' HB2' ' HB2' ' P' ' 235' ' ' ALA . 14.4 Cg_exo -69.08 104.6 1.24 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.651 2.234 . . . . 0.0 112.085 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 231' ' ' SER . . . . . 0.403 ' O ' ' N ' ' P' ' 233' ' ' ASP . 6.9 t -54.45 164.5 0.7 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 232' ' ' TYR . . . . . 0.49 ' CD2' ' HA ' ' W' ' 553' ' ' ARG . 0.2 OUTLIER -60.86 82.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' P' P ' 233' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' P' ' 231' ' ' SER . 0.6 OUTLIER 177.17 -50.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.003 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -85.07 -28.82 25.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.025 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 235' ' ' ALA . . . . . 0.86 ' HB2' ' HB2' ' P' ' 230' ' ' PRO . . . -91.29 70.4 6.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 236' ' ' LEU . . . . . 0.421 HD12 ' C ' ' P' ' 235' ' ' ALA . 5.1 mp -137.46 48.68 2.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.969 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 8.0 p80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 99.99 110.859 179.933 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' W' W ' 521' ' ' GLY . . . . . 0.472 ' N ' ' CD ' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 110.116 -1.193 . . . . 99.99 110.116 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 522' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' W' ' 521' ' ' GLY . 52.9 Cg_exo -54.81 -34.43 85.04 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.599 2.199 . . . . 0.0 112.29 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.71 37.65 4.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -56.04 166.57 3.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 22.9 m -106.97 -37.87 6.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 0.0 110.952 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -130.81 127.12 5.1 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.58 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -94.36 -59.74 1.88 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.812 0.339 . . . . 0.0 111.04 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.75 134.29 52.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 529' ' ' GLU . . . . . 0.42 ' O ' ' CZ ' ' W' ' 561' ' ' ARG . 10.3 tp10 -99.63 117.2 64.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.768 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -49.63 138.93 31.77 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.478 2.119 . . . . 0.0 112.631 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 531' ' ' LEU . . . . . 0.789 HD22 ' CA ' ' W' ' 536' ' ' SER . 0.3 OUTLIER -70.73 140.9 86.89 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.651 179.676 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' W' W ' 532' ' ' PRO . . . . . 0.533 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 95.5 Cg_exo -48.3 -177.66 0.0 OUTLIER 'Trans proline' 0 CA--C 1.534 0.486 0 C-N-CA 122.941 2.427 . . . . 0.0 112.86 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 533' ' ' PRO . . . . . 0.533 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 51.4 Cg_exo -40.29 -57.33 1.23 Allowed 'Trans proline' 0 CA--C 1.514 -0.5 0 C-N-CA 123.459 2.772 . . . . 0.0 114.949 -178.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 534' ' ' ARG . . . . . 0.423 ' HB3' ' N ' ' W' ' 551' ' ' ALA . 5.8 mmm180 -121.24 71.49 0.95 Allowed 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.032 -178.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 535' ' ' TRP . . . . . 0.55 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 80.8 m95 -153.47 153.22 32.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.06 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 536' ' ' SER . . . . . 0.789 ' CA ' HD22 ' W' ' 531' ' ' LEU . 3.2 m -149.69 -173.74 4.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.305 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 537' ' ' MET . . . . . 0.447 ' SD ' ' CE1' ' W' ' 547' ' ' PHE . 0.0 OUTLIER -145.02 139.04 27.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.896 0.379 . . . . 0.0 111.072 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' W' W ' 538' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -148.96 154.15 38.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.719 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 539' ' ' VAL . . . . . 0.485 ' CA ' HG22 ' W' ' 545' ' ' THR . 7.6 p -96.93 133.32 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.325 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 540' ' ' ALA . . . . . 0.931 ' HB1' ' HD2' ' W' ' 541' ' ' PRO . . . -107.53 175.58 1.96 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.975 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 541' ' ' PRO . . . . . 0.931 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 73.7 Cg_endo -77.14 -20.24 12.98 Favored 'Trans proline' 0 N--CA 1.463 -0.288 0 C-N-CA 122.458 2.105 . . . . 0.0 112.019 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -51.17 -36.18 39.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.569 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 129.03 -12.61 6.09 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.911 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 544' ' ' ARG . . . . . 0.503 ' HG2' ' CH2' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.44 156.48 45.55 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.976 0.417 . . . . 0.0 111.453 -179.799 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' W' W ' 545' ' ' THR . . . . . 0.485 HG22 ' CA ' ' W' ' 539' ' ' VAL . 1.4 p -83.3 146.84 28.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.847 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 546' ' ' PHE . . . . . 0.78 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 7.0 p90 -120.57 -175.13 2.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.935 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 547' ' ' PHE . . . . . 0.622 ' CE2' HD23 ' W' ' 531' ' ' LEU . 3.1 m-85 -114.67 164.5 13.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.078 179.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 548' ' ' ILE . . . . . 0.784 HG12 HG22 ' W' ' 555' ' ' THR . 17.4 mt -132.82 107.35 11.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.306 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 549' ' ' ASP . . . . . 0.486 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 32.7 t0 -79.5 109.26 13.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.625 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 550' ' ' HIS . . . . . 0.414 ' HB2' ' HB3' ' W' ' 534' ' ' ARG . 31.5 m-70 -76.94 -20.25 56.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.414 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 551' ' ' ALA . . . . . 0.423 ' N ' ' HB3' ' W' ' 534' ' ' ARG . . . -67.8 -50.21 58.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.881 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.75 -16.21 19.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.214 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 74.92 53.49 0.08 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.894 0.378 . . . . 0.0 110.858 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 554' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' W' ' 549' ' ' ASP . 25.3 mtt-85 -143.35 -177.01 5.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.772 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 555' ' ' THR . . . . . 0.784 HG22 HG12 ' W' ' 548' ' ' ILE . 76.7 p -133.62 159.4 40.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.944 0.402 . . . . 0.0 111.321 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 556' ' ' THR . . . . . 0.471 ' N ' HD11 ' P' ' 229' ' ' LEU . 5.1 t -152.31 164.66 36.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.071 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 557' ' ' TRP . . . . . 0.503 ' CH2' ' HG2' ' W' ' 544' ' ' ARG . 24.7 m95 -88.05 -18.1 29.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.469 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 1.2 mp -100.77 147.97 7.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.909 0.385 . . . . 0.0 111.322 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 559' ' ' ASP . . . . . 0.495 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 2.6 p30 -95.78 145.0 28.78 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.117 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 560' ' ' PRO . . . . . 0.55 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 12.5 Cg_endo -83.14 -32.63 0.49 Allowed 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 122.45 2.1 . . . . 0.0 111.888 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 561' ' ' ARG . . . . . 0.42 ' CZ ' ' O ' ' W' ' 529' ' ' GLU . 0.6 OUTLIER -55.29 -24.29 27.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.93 179.786 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -136.3 -67.0 0.52 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.625 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 124.63 37.07 0.56 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.408 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.24 152.11 49.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.837 0.351 . . . . 0.0 111.042 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -57.99 90.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 99.99 110.852 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.807 0.337 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' P' P ' 228' ' ' GLY . . . . . 0.407 ' O ' ' HD3' ' P' ' 230' ' ' PRO . . . -138.34 30.91 2.48 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.505 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 229' ' ' LEU . . . . . 0.471 HD11 ' N ' ' W' ' 556' ' ' THR . 0.4 OUTLIER -107.28 97.88 20.61 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-O 120.613 0.244 . . . . 0.0 110.994 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' P' P ' 230' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' P' ' 228' ' ' GLY . 63.2 Cg_exo -51.49 -172.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.629 2.219 . . . . 0.0 112.301 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 2.1 m -106.49 177.18 4.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.114 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 232' ' ' TYR . . . . . 0.485 ' CD2' HG23 ' W' ' 548' ' ' ILE . 6.9 t80 -70.99 -36.38 72.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.003 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -80.47 -30.68 37.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.022 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -96.2 29.85 2.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.82 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -156.63 60.26 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.76 53.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 7.4 p80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 99.99 110.844 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' W' W ' 521' ' ' GLY . . . . . 0.48 ' N ' ' CD ' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.442 0 N-CA-C 110.119 -1.192 . . . . 99.99 110.119 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 522' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' W' ' 521' ' ' GLY . 39.4 Cg_exo -56.89 -41.44 75.37 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.539 2.159 . . . . 0.0 112.216 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.08 39.53 1.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -139.47 34.56 2.04 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.15 99.92 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.791 0.329 . . . . 0.0 110.79 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -122.65 76.34 0.36 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.598 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.94 124.81 45.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.717 0.294 . . . . 0.0 110.813 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -141.74 111.41 6.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.015 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 529' ' ' GLU . . . . . 0.409 ' HB3' ' HD3' ' W' ' 561' ' ' ARG . 5.2 tp10 -58.91 117.58 22.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.704 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -57.06 153.87 36.36 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.389 2.06 . . . . 0.0 112.409 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 531' ' ' LEU . . . . . 0.939 HD23 ' CE2' ' W' ' 547' ' ' PHE . 0.2 OUTLIER -70.98 146.54 93.05 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.223 179.543 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' W' W ' 532' ' ' PRO . . . . . 0.448 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 74.5 Cg_exo -49.13 -179.6 0.01 OUTLIER 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.348 2.032 . . . . 0.0 112.563 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 533' ' ' PRO . . . . . 0.448 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 86.4 Cg_exo -47.45 -40.34 29.14 Favored 'Trans proline' 0 CA--C 1.517 -0.37 0 C-N-CA 123.328 2.685 . . . . 0.0 115.262 -178.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 534' ' ' ARG . . . . . 0.413 ' HB3' ' HB2' ' W' ' 550' ' ' HIS . 7.7 mmm180 -130.35 61.89 1.59 Allowed 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.723 -178.097 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 535' ' ' TRP . . . . . 0.542 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 65.8 m95 -146.73 165.36 29.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.383 0.611 . . . . 0.0 112.609 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 536' ' ' SER . . . . . 0.738 ' HA ' HD13 ' W' ' 531' ' ' LEU . 3.5 m -153.51 -174.07 4.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.177 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 537' ' ' MET . . . . . 0.448 ' SD ' ' CE1' ' W' ' 547' ' ' PHE . 0.5 OUTLIER -142.06 144.2 33.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.873 0.368 . . . . 0.0 111.066 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' W' W ' 538' ' ' GLN . . . . . 0.437 ' HB3' ' CZ ' ' W' ' 546' ' ' PHE . 1.4 tp60 -158.77 140.44 13.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 539' ' ' VAL . . . . . 0.541 ' HA ' HG22 ' W' ' 545' ' ' THR . 11.7 p -87.95 127.07 41.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 540' ' ' ALA . . . . . 0.806 ' HB1' ' HD2' ' W' ' 541' ' ' PRO . . . -96.13 168.91 9.81 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 541' ' ' PRO . . . . . 0.806 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 60.2 Cg_endo -72.7 -23.12 19.78 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.615 2.21 . . . . 0.0 111.935 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -50.2 -41.15 49.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.753 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 135.17 -10.7 4.44 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.947 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 544' ' ' ARG . . . . . 0.487 ' HG3' ' CZ3' ' W' ' 557' ' ' TRP . 1.2 ptp180 -129.31 158.12 39.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.948 0.404 . . . . 0.0 111.221 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 545' ' ' THR . . . . . 0.541 HG22 ' HA ' ' W' ' 539' ' ' VAL . 0.6 OUTLIER -88.77 147.12 24.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.646 179.643 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' W' W ' 546' ' ' PHE . . . . . 0.744 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 3.3 p90 -119.51 177.58 4.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.085 0.469 . . . . 0.0 111.473 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 547' ' ' PHE . . . . . 0.939 ' CE2' HD23 ' W' ' 531' ' ' LEU . 0.4 OUTLIER -119.88 117.85 29.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.392 179.622 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' W' W ' 548' ' ' ILE . . . . . 0.521 HG23 ' CD2' ' P' ' 232' ' ' TYR . 2.6 mp -81.56 136.07 23.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.557 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 549' ' ' ASP . . . . . 0.48 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 26.0 t70 -110.21 111.19 22.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.685 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 550' ' ' HIS . . . . . 0.413 ' HB2' ' HB3' ' W' ' 534' ' ' ARG . 9.7 m-70 -76.7 -28.82 56.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.11 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -52.91 -55.14 25.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.365 . . . . 0.0 111.095 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.94 -13.99 15.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.48 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 553' ' ' ARG . . . . . 0.449 ' HA ' ' CD2' ' P' ' 232' ' ' TYR . 0.4 OUTLIER 75.5 63.85 0.06 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.885 0.374 . . . . 0.0 110.692 -179.693 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -144.77 -174.8 4.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.744 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 70.2 p -135.36 162.1 33.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.076 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 556' ' ' THR . . . . . 0.413 ' O ' ' HB2' ' W' ' 546' ' ' PHE . 4.2 t -160.26 159.27 31.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.273 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 557' ' ' TRP . . . . . 0.491 ' CE3' ' HB3' ' W' ' 546' ' ' PHE . 13.8 m95 -89.2 -10.95 45.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.851 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 558' ' ' ILE . . . . . 0.888 HG23 ' C ' ' W' ' 564' ' ' ARG . 1.3 mt -110.43 129.19 65.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.961 0.41 . . . . 0.0 111.446 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 559' ' ' ASP . . . . . 0.428 ' HA ' ' HD3' ' W' ' 560' ' ' PRO . 0.9 OUTLIER -71.07 142.62 87.72 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.017 -179.783 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' W' W ' 560' ' ' PRO . . . . . 0.542 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 11.1 Cg_endo -81.78 -32.45 0.83 Allowed 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.365 2.044 . . . . 0.0 111.909 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 561' ' ' ARG . . . . . 0.409 ' HD3' ' HB3' ' W' ' 529' ' ' GLU . 1.0 OUTLIER -58.46 -22.61 55.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.946 179.835 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -125.84 -65.81 0.97 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.617 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 118.18 36.19 0.96 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.302 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 564' ' ' ARG . . . . . 0.888 ' C ' HG23 ' W' ' 558' ' ' ILE . 11.9 mtp180 -141.11 155.99 46.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.826 0.346 . . . . 0.0 110.877 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -53.55 132.84 40.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.038 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 12.9 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 99.99 111.094 -179.915 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.77 0.319 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . 135.95 -24.17 3.31 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 229' ' ' LEU . . . . . 0.438 ' HB2' ' NE1' ' W' ' 557' ' ' TRP . 40.1 tp -58.72 108.09 1.2 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.47 0.176 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -59.91 -153.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.367 2.045 . . . . 0.0 111.941 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 231' ' ' SER . . . . . 0.422 ' O ' ' N ' ' P' ' 233' ' ' ASP . 13.0 m -145.66 161.81 39.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 232' ' ' TYR . . . . . 0.521 ' CD2' HG23 ' W' ' 548' ' ' ILE . 1.3 t80 -63.68 76.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.768 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 233' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' P' ' 231' ' ' SER . 0.3 OUTLIER 176.29 -39.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.644 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -99.76 42.04 1.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.708 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 235' ' ' ALA . . . . . 0.436 ' HB1' ' HG2' ' W' ' 538' ' ' GLN . . . -173.65 36.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.08 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 2.5 tt -137.2 86.46 2.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.796 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 15.3 m80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 99.99 110.93 -179.959 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' W' W ' 521' ' ' GLY . . . . . 0.573 ' N ' ' HD2' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.469 0 N-CA-C 110.093 -1.203 . . . . 99.99 110.093 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 522' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 68.6 Cg_endo -74.38 175.87 10.42 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.66 2.24 . . . . 0.0 112.368 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.37 69.92 0.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . 53.49 178.01 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.454 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.78 -24.39 33.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.745 0.307 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . 59.18 176.12 0.83 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.421 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.23 -80.99 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.899 0.381 . . . . 0.0 110.942 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.24 141.42 44.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 529' ' ' GLU . . . . . 0.426 ' O ' ' CZ ' ' W' ' 561' ' ' ARG . 0.3 OUTLIER -52.91 132.65 48.73 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' W' W ' 530' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' W' ' 529' ' ' GLU . 33.9 Cg_exo -59.33 140.61 95.3 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.496 2.13 . . . . 0.0 112.516 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 531' ' ' LEU . . . . . 0.739 HD22 ' CA ' ' W' ' 536' ' ' SER . 0.3 OUTLIER -72.12 146.93 90.44 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.372 179.317 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' W' W ' 532' ' ' PRO . . . . . 0.499 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 71.0 Cg_exo -49.66 -177.76 0.01 OUTLIER 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.375 2.05 . . . . 0.0 112.378 -179.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 533' ' ' PRO . . . . . 0.499 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 56.2 Cg_exo -41.82 -48.35 5.99 Favored 'Trans proline' 0 CA--C 1.516 -0.389 0 C-N-CA 123.397 2.732 . . . . 0.0 115.206 -178.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 534' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -129.38 68.73 1.41 Allowed 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.079 -178.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 535' ' ' TRP . . . . . 0.56 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 64.7 m95 -148.03 155.44 41.5 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 536' ' ' SER . . . . . 0.739 ' CA ' HD22 ' W' ' 531' ' ' LEU . 4.8 m -152.33 -173.65 4.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.79 -1.095 . . . . 0.0 109.514 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 537' ' ' MET . . . . . 0.713 ' HG2' HD21 ' W' ' 531' ' ' LEU . 0.0 OUTLIER -159.14 130.05 6.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.087 0.47 . . . . 0.0 111.583 179.504 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' W' W ' 538' ' ' GLN . . . . . 0.582 ' HB2' HD11 ' W' ' 548' ' ' ILE . 1.3 mt-30 -133.69 145.26 49.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.288 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 539' ' ' VAL . . . . . 0.652 ' HA ' HG22 ' W' ' 545' ' ' THR . 12.9 p -75.49 129.85 36.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.954 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 540' ' ' ALA . . . . . 0.838 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -97.85 169.89 7.88 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.239 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 541' ' ' PRO . . . . . 0.798 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 73.3 Cg_endo -76.25 -21.88 13.2 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.553 2.169 . . . . 0.0 111.792 179.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -52.82 -49.01 66.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.83 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 148.69 -15.67 1.22 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.403 -0.904 . . . . 0.0 113.098 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 544' ' ' ARG . . . . . 0.5 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.29 152.29 50.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.0 0.429 . . . . 0.0 111.477 -179.76 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' W' W ' 545' ' ' THR . . . . . 0.652 HG22 ' HA ' ' W' ' 539' ' ' VAL . 0.8 OUTLIER -77.44 146.89 36.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.962 179.699 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' W' W ' 546' ' ' PHE . . . . . 0.838 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 7.6 p90 -121.21 167.67 12.44 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.145 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 547' ' ' PHE . . . . . 0.588 ' CE2' HD23 ' W' ' 531' ' ' LEU . 3.5 m-85 -108.33 126.5 52.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.079 0.466 . . . . 0.0 111.225 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 548' ' ' ILE . . . . . 0.582 HD11 ' HB2' ' W' ' 538' ' ' GLN . 3.1 mp -86.52 135.0 26.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.029 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 549' ' ' ASP . . . . . 0.479 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 41.3 t0 -115.02 106.5 14.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.656 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -76.43 -39.4 53.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.161 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -55.51 -28.23 53.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.182 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.92 -11.75 9.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.706 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 553' ' ' ARG . . . . . 0.458 ' HA ' ' CD2' ' P' ' 232' ' ' TYR . 24.8 mmt85 65.21 37.76 6.34 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.763 0.316 . . . . 0.0 110.843 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -139.56 152.97 47.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 555' ' ' THR . . . . . 0.619 HG21 ' O ' ' P' ' 230' ' ' PRO . 60.6 p -103.76 168.83 8.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 556' ' ' THR . . . . . 0.629 ' HA ' HD21 ' P' ' 229' ' ' LEU . 1.5 t -158.86 157.01 30.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.055 0.455 . . . . 0.0 111.355 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 557' ' ' TRP . . . . . 0.5 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 17.3 m95 -80.63 -21.21 41.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.519 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 558' ' ' ILE . . . . . 0.735 HG23 ' C ' ' W' ' 564' ' ' ARG . 1.2 mt -103.58 143.52 15.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.92 0.39 . . . . 0.0 111.547 -179.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 559' ' ' ASP . . . . . 0.429 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 3.0 p30 -87.91 145.82 37.41 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.981 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 560' ' ' PRO . . . . . 0.56 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 15.8 Cg_endo -84.6 -31.83 0.42 Allowed 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.565 2.177 . . . . 0.0 112.224 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 561' ' ' ARG . . . . . 0.426 ' CZ ' ' O ' ' W' ' 529' ' ' GLU . 0.6 OUTLIER -52.5 -23.32 6.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.047 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -137.93 -46.07 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.673 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 103.91 37.84 2.86 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.39 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 564' ' ' ARG . . . . . 0.735 ' C ' HG23 ' W' ' 558' ' ' ILE . 0.0 OUTLIER -134.68 151.98 51.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.869 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -60.39 143.33 53.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.438 . . . . 99.99 110.913 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.813 0.339 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . 173.81 -97.17 0.11 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.466 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 229' ' ' LEU . . . . . 0.629 HD21 ' HA ' ' W' ' 556' ' ' THR . 16.0 tp 66.25 74.89 0.35 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.71 0.291 . . . . 0.0 111.076 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 230' ' ' PRO . . . . . 0.619 ' O ' HG21 ' W' ' 555' ' ' THR . 47.2 Cg_exo -55.82 95.08 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.579 2.186 . . . . 0.0 111.963 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.87 170.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.222 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 232' ' ' TYR . . . . . 0.458 ' CD2' ' HA ' ' W' ' 553' ' ' ARG . 0.7 OUTLIER -66.24 73.07 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.046 -179.885 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -174.78 -39.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -113.26 21.37 15.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.063 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -106.93 -67.69 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.079 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 236' ' ' LEU . . . . . 0.416 ' CD1' ' CE1' ' P' ' 232' ' ' TYR . 0.8 OUTLIER -67.29 142.85 56.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.982 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 99.99 111.019 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 521' ' ' GLY . . . . . 0.649 ' N ' ' HD2' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.448 0 N-CA-C 110.101 -1.2 . . . . 99.99 110.101 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 522' ' ' PRO . . . . . 0.649 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 35.1 Cg_endo -65.32 -177.48 0.66 Allowed 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.564 2.176 . . . . 0.0 112.192 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 523' ' ' LEU . . . . . 0.596 ' H ' HD12 ' W' ' 523' ' ' LEU . 4.9 mp -57.24 -41.13 79.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . 133.16 -54.7 0.77 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.497 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 88.4 p -71.09 92.45 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.369 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -116.46 71.35 0.27 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.482 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -86.73 -28.26 23.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -179.42 -37.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.993 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 529' ' ' GLU . . . . . 0.436 ' CG ' ' HB2' ' W' ' 561' ' ' ARG . 4.3 tp10 68.72 90.9 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.724 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -68.7 133.95 28.97 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.567 2.178 . . . . 0.0 112.679 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 531' ' ' LEU . . . . . 0.86 HD22 ' HG3' ' W' ' 537' ' ' MET . 0.0 OUTLIER -39.0 138.73 0.8 Allowed Pre-proline 0 N--CA 1.472 0.673 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.376 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' W' W ' 532' ' ' PRO . . . . . 0.463 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 53.8 Cg_exo -51.61 -175.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.521 2.147 . . . . 0.0 113.015 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 533' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 16.5 Cg_exo -72.19 -2.78 12.15 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 123.534 2.823 . . . . 0.0 115.048 -178.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 534' ' ' ARG . . . . . 0.445 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 13.6 mmt180 -149.14 39.77 0.85 Allowed 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 120.084 -0.647 . . . . 0.0 111.75 -178.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 535' ' ' TRP . . . . . 0.533 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 30.0 m95 -140.89 170.0 16.56 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.17 0.509 . . . . 0.0 112.097 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 536' ' ' SER . . . . . 0.844 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.1 OUTLIER -137.13 -158.88 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.29 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' W' W ' 537' ' ' MET . . . . . 0.86 ' HG3' HD22 ' W' ' 531' ' ' LEU . 20.0 mtp -159.15 132.33 7.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.925 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 538' ' ' GLN . . . . . 0.412 ' HG3' ' N ' ' W' ' 539' ' ' VAL . 0.4 OUTLIER -167.3 146.07 4.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.114 -179.839 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' W' W ' 539' ' ' VAL . . . . . 0.529 ' O ' HG13 ' W' ' 539' ' ' VAL . 7.6 p -88.31 111.76 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.622 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 540' ' ' ALA . . . . . 0.777 ' HB1' ' HD2' ' W' ' 541' ' ' PRO . . . -71.31 167.49 29.4 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.397 -179.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 541' ' ' PRO . . . . . 0.777 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 42.4 Cg_endo -67.51 -24.76 41.91 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.55 2.167 . . . . 0.0 111.673 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 542' ' ' ASN . . . . . 0.436 ' ND2' ' HA ' ' P' ' 227' ' ' THR . 56.3 t30 -52.68 -30.37 31.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.523 179.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 118.98 -10.42 11.99 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.025 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 544' ' ' ARG . . . . . 0.529 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 12.0 ptp180 -122.63 156.44 34.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.923 0.362 . . . . 0.0 111.075 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 545' ' ' THR . . . . . 0.435 ' HA ' ' HA ' ' W' ' 539' ' ' VAL . 1.2 p -80.98 145.44 31.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.797 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 546' ' ' PHE . . . . . 0.628 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 20.2 p90 -124.68 179.12 5.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.748 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 547' ' ' PHE . . . . . 0.522 ' CG ' ' HD3' ' W' ' 560' ' ' PRO . 0.7 OUTLIER -124.77 119.96 30.4 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.595 179.284 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' W' W ' 548' ' ' ILE . . . . . 0.528 ' CG2' ' CD2' ' P' ' 232' ' ' TYR . 3.0 mt -78.97 136.49 23.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.512 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -106.21 103.23 12.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.09 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 550' ' ' HIS . . . . . 0.441 ' CE1' ' OH ' ' P' ' 232' ' ' TYR . 12.6 m-70 -71.57 -24.63 61.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.667 179.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -55.41 -37.33 67.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.9 15.83 3.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.504 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? 53.8 66.69 1.16 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.731 0.301 . . . . 0.0 111.04 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -146.79 -161.78 1.4 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.116 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 47.3 p -151.2 173.17 14.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.032 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 556' ' ' THR . . . . . 0.721 ' CA ' HD11 ' P' ' 229' ' ' LEU . 2.7 t -166.93 159.78 13.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.92 0.39 . . . . 0.0 111.482 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 557' ' ' TRP . . . . . 0.529 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 15.8 m95 -88.91 15.22 8.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.459 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 558' ' ' ILE . . . . . 0.705 HD13 ' HA ' ' W' ' 565' ' ' ALA . 5.8 mm -130.92 138.64 53.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.003 0.43 . . . . 0.0 111.741 -178.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 559' ' ' ASP . . . . . 0.482 ' HA ' ' CD2' ' W' ' 547' ' ' PHE . 2.2 p30 -76.31 135.26 69.54 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.027 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 560' ' ' PRO . . . . . 0.533 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 74.1 Cg_endo -77.56 -30.75 3.76 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.595 2.197 . . . . 0.0 112.063 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 561' ' ' ARG . . . . . 0.436 ' HB2' ' CG ' ' W' ' 529' ' ' GLU . 0.5 OUTLIER -54.02 -28.04 35.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.991 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -135.87 -69.86 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 110.658 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 133.84 41.06 0.17 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.524 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -127.32 154.0 45.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.947 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 565' ' ' ALA . . . . . 0.705 ' HA ' HD13 ' W' ' 558' ' ' ILE . . . -59.42 89.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.069 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 39.7 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 99.99 110.862 179.915 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' P' P ' 227' ' ' THR . . . . . 0.436 ' HA ' ' ND2' ' W' ' 542' ' ' ASN . 4.9 t . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.886 0.374 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . -137.81 -83.86 0.12 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.609 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 229' ' ' LEU . . . . . 0.721 HD11 ' CA ' ' W' ' 556' ' ' THR . 18.2 tp 68.95 93.47 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.653 0.263 . . . . 0.0 110.888 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -57.31 -153.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.529 2.153 . . . . 0.0 111.869 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 3.4 t -157.5 49.65 0.43 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.349 . . . . 0.0 111.105 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 232' ' ' TYR . . . . . 0.528 ' CD2' ' CG2' ' W' ' 548' ' ' ILE . 0.5 OUTLIER 51.99 52.35 14.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.671 179.857 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -159.56 -55.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -105.14 58.03 0.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.964 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -176.35 49.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.4 57.39 1.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.681 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 4.6 m170 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 99.99 110.91 -179.88 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' W' W ' 521' ' ' GLY . . . . . 0.636 ' N ' ' HD2' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.484 0 N-CA-C 110.113 -1.195 . . . . 99.99 110.113 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 522' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 38.0 Cg_endo -66.44 -167.24 0.12 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.562 2.175 . . . . 0.0 112.302 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 25.7 mt -80.73 90.85 5.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -142.43 147.56 19.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.37 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.93 98.12 6.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.859 0.361 . . . . 0.0 110.986 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . 94.99 164.94 35.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.523 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -77.0 76.69 3.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.714 0.292 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.56 121.54 42.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.982 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 529' ' ' GLU . . . . . 0.413 ' O ' ' CZ ' ' W' ' 561' ' ' ARG . 20.7 tt0 -77.06 116.96 61.83 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.46 178.44 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.384 2.056 . . . . 0.0 112.413 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 531' ' ' LEU . . . . . 0.72 HD23 ' CE2' ' W' ' 547' ' ' PHE . 0.0 OUTLIER -93.16 149.58 37.71 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.223 179.877 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' W' W ' 532' ' ' PRO . . . . . 0.484 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 85.6 Cg_exo -47.9 -179.29 0.01 OUTLIER 'Trans proline' 0 CA--C 1.531 0.361 0 C-N-CA 122.703 2.269 . . . . 0.0 113.329 -179.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 533' ' ' PRO . . . . . 0.484 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 87.1 Cg_exo -46.92 -44.09 23.21 Favored 'Trans proline' 0 CA--C 1.514 -0.501 0 C-N-CA 123.447 2.765 . . . . 0.0 114.946 -178.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 534' ' ' ARG . . . . . 0.47 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 17.2 mmm180 -122.8 65.87 0.96 Allowed 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.781 -178.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 535' ' ' TRP . . . . . 0.545 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 63.9 m95 -149.92 162.4 40.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.322 0.582 . . . . 0.0 112.273 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 536' ' ' SER . . . . . 0.684 ' HA ' HD13 ' W' ' 531' ' ' LEU . 3.8 m -154.66 -174.43 4.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.226 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 537' ' ' MET . . . . . 0.44 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 17.9 mtm -141.31 151.31 43.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.042 0.449 . . . . 0.0 111.402 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 538' ' ' GLN . . . . . 0.759 ' HB2' HD11 ' W' ' 548' ' ' ILE . 0.4 OUTLIER -165.41 138.54 4.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.494 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' W' W ' 539' ' ' VAL . . . . . 0.406 ' HA ' ' HA ' ' W' ' 545' ' ' THR . 13.3 p -78.48 139.97 17.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.884 0.374 . . . . 0.0 111.154 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 540' ' ' ALA . . . . . 0.864 ' HB1' ' HD2' ' W' ' 541' ' ' PRO . . . -110.19 171.49 4.34 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.176 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 541' ' ' PRO . . . . . 0.864 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 61.4 Cg_endo -73.39 -22.53 18.53 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.538 2.158 . . . . 0.0 111.824 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -51.79 -41.24 61.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.762 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 135.39 -12.55 4.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.593 -0.813 . . . . 0.0 113.009 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 544' ' ' ARG . . . . . 0.514 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 1.0 OUTLIER -131.24 158.12 41.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.97 0.414 . . . . 0.0 111.441 -179.841 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' W' W ' 545' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' W' ' 539' ' ' VAL . 0.2 OUTLIER -83.36 147.26 28.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.53 179.561 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' W' W ' 546' ' ' PHE . . . . . 0.817 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 4.2 p90 -119.61 -178.06 3.53 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.435 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 547' ' ' PHE . . . . . 0.72 ' CE2' HD23 ' W' ' 531' ' ' LEU . 1.4 m-85 -115.98 133.53 55.93 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.166 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 548' ' ' ILE . . . . . 0.759 HD11 ' HB2' ' W' ' 538' ' ' GLN . 4.1 mp -94.44 136.82 24.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.707 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 549' ' ' ASP . . . . . 0.421 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 28.5 t0 -115.71 112.88 22.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.969 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 550' ' ' HIS . . . . . 0.401 ' CD2' ' N ' ' W' ' 550' ' ' HIS . 6.5 m-70 -86.5 -27.63 23.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.746 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -55.88 -25.5 42.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.186 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 552' ' ' SER . . . . . 0.409 ' O ' ' HG3' ' W' ' 554' ' ' ARG . 0.3 OUTLIER -143.34 15.42 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.508 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? 49.21 72.25 0.31 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.837 0.351 . . . . 0.0 111.081 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 554' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' W' ' 552' ' ' SER . 2.9 mtt-85 -154.84 -167.51 2.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 555' ' ' THR . . . . . 0.429 HG21 ' O ' ' P' ' 230' ' ' PRO . 74.7 p -150.38 169.86 20.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.858 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 556' ' ' THR . . . . . 0.598 ' CA ' HD11 ' P' ' 229' ' ' LEU . 1.8 t -162.23 162.81 28.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.973 0.416 . . . . 0.0 111.198 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 557' ' ' TRP . . . . . 0.514 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 14.6 m95 -87.23 -19.62 28.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.811 -179.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.0 mm -109.57 139.33 33.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.979 0.418 . . . . 0.0 111.519 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 559' ' ' ASP . . . . . 0.436 ' HA ' ' HD3' ' W' ' 560' ' ' PRO . 0.8 OUTLIER -74.42 141.51 76.9 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.118 -179.588 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' W' W ' 560' ' ' PRO . . . . . 0.545 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 34.5 Cg_endo -86.19 -20.7 2.71 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 122.662 2.241 . . . . 0.0 112.233 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 561' ' ' ARG . . . . . 0.413 ' CZ ' ' O ' ' W' ' 529' ' ' GLU . 0.7 OUTLIER -49.41 -27.25 3.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.061 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -158.96 -43.01 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 125.11 52.24 0.18 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.733 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 10.0 mtt-85 -131.79 139.85 49.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.784 0.326 . . . . 0.0 110.777 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -64.54 130.46 43.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.102 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 99.99 110.902 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.851 0.357 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . -119.88 -113.62 2.43 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 229' ' ' LEU . . . . . 0.598 HD11 ' CA ' ' W' ' 556' ' ' THR . 16.7 tp 70.35 75.29 0.25 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 120.731 0.3 . . . . 0.0 111.289 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 230' ' ' PRO . . . . . 0.429 ' O ' HG21 ' W' ' 555' ' ' THR . 26.2 Cg_exo -62.29 113.13 1.78 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.671 2.247 . . . . 0.0 111.93 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.38 161.96 2.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.981 0.42 . . . . 0.0 111.127 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 232' ' ' TYR . . . . . 0.614 ' CE1' HD11 ' P' ' 236' ' ' LEU . 6.8 t80 -54.97 92.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 173.59 -67.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.95 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.97 -32.71 74.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -97.93 79.69 2.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.116 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 236' ' ' LEU . . . . . 0.614 HD11 ' CE1' ' P' ' 232' ' ' TYR . 0.3 OUTLIER -150.59 25.71 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.976 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 99.99 110.848 179.929 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' W' W ' 521' ' ' GLY . . . . . 0.618 ' N ' ' HD2' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.47 0 N-CA-C 110.107 -1.197 . . . . 99.99 110.107 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 522' ' ' PRO . . . . . 0.618 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 55.5 Cg_endo -70.18 -41.05 4.04 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.629 2.219 . . . . 0.0 112.251 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 523' ' ' LEU . . . . . 0.518 HD12 ' HG2' ' W' ' 522' ' ' PRO . 0.8 OUTLIER -139.78 151.54 45.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . 170.93 -58.9 0.18 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.549 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 20.2 m -77.15 137.05 38.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.787 0.327 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . 157.68 130.68 1.23 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 71.27 69.91 0.17 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.843 0.354 . . . . 0.0 110.974 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 69.54 124.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.017 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 529' ' ' GLU . . . . . 0.409 ' CB ' ' HD3' ' W' ' 561' ' ' ARG . 5.8 tp10 -69.59 129.91 90.99 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.662 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -82.25 49.75 3.22 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.602 2.201 . . . . 0.0 112.943 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 531' ' ' LEU . . . . . 0.619 HD13 ' HA ' ' W' ' 536' ' ' SER . 0.5 OUTLIER 58.82 112.49 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.767 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' W' W ' 532' ' ' PRO . . . . . 0.531 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 88.5 Cg_exo -47.37 179.22 0.01 OUTLIER 'Trans proline' 0 CA--C 1.532 0.424 0 C-N-CA 122.77 2.313 . . . . 0.0 112.62 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 533' ' ' PRO . . . . . 0.531 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 35.2 Cg_exo -35.85 -62.17 0.25 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.388 2.725 . . . . 0.0 114.602 -178.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 534' ' ' ARG . . . . . 0.48 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 19.8 mmt85 -115.69 71.92 0.79 Allowed 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.547 -179.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 535' ' ' TRP . . . . . 0.572 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 87.0 m95 -157.48 151.49 24.49 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.845 -179.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 536' ' ' SER . . . . . 0.619 ' HA ' HD13 ' W' ' 531' ' ' LEU . 3.4 m -147.81 -173.76 4.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.286 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 537' ' ' MET . . . . . 0.448 ' SD ' ' CE1' ' W' ' 547' ' ' PHE . 0.2 OUTLIER -143.53 127.73 17.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.95 0.405 . . . . 0.0 110.965 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' W' W ' 538' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -140.41 143.85 35.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.927 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 539' ' ' VAL . . . . . 0.463 ' HA ' HG22 ' W' ' 545' ' ' THR . 5.6 p -88.46 129.12 40.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.953 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 540' ' ' ALA . . . . . 0.874 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -102.56 172.59 4.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.22 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 541' ' ' PRO . . . . . 0.826 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 73.0 Cg_endo -76.63 -22.18 12.28 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.64 2.227 . . . . 0.0 112.054 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -50.03 -40.83 46.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.791 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 136.38 -14.16 3.99 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.979 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 544' ' ' ARG . . . . . 0.523 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 11.1 ptp180 -130.9 156.87 44.33 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.898 0.38 . . . . 0.0 111.264 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 545' ' ' THR . . . . . 0.463 HG22 ' HA ' ' W' ' 539' ' ' VAL . 0.8 OUTLIER -80.89 146.94 30.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.05 179.845 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' W' W ' 546' ' ' PHE . . . . . 0.874 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 7.9 p90 -125.93 158.7 34.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.198 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 547' ' ' PHE . . . . . 0.516 ' CE1' ' HB3' ' W' ' 559' ' ' ASP . 2.3 m-85 -93.48 157.2 16.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.253 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 548' ' ' ILE . . . . . 0.657 HG12 HG22 ' W' ' 555' ' ' THR . 10.8 mt -125.1 107.22 17.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.755 0.312 . . . . 0.0 111.455 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 549' ' ' ASP . . . . . 0.505 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 31.3 t0 -76.19 109.47 9.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.807 179.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 550' ' ' HIS . . . . . 0.411 ' CB ' ' HD3' ' W' ' 534' ' ' ARG . 22.4 m-70 -72.53 -15.8 61.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.382 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -65.64 -48.3 72.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.799 0.333 . . . . 0.0 111.034 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.05 17.68 10.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.203 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 553' ' ' ARG . . . . . 0.486 ' HA ' ' CD2' ' P' ' 232' ' ' TYR . 0.1 OUTLIER 48.86 51.08 16.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.827 0.346 . . . . 0.0 111.031 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -120.81 173.02 7.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.535 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 555' ' ' THR . . . . . 0.815 ' O ' HD21 ' P' ' 229' ' ' LEU . 27.0 p -135.52 152.02 50.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.038 0.447 . . . . 0.0 112.011 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 556' ' ' THR . . . . . 0.648 ' N ' HD11 ' P' ' 229' ' ' LEU . 2.5 t -147.87 158.14 43.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.813 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 557' ' ' TRP . . . . . 0.523 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 17.3 m95 -80.23 -11.56 59.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.96 -179.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 558' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' W' ' 565' ' ' ALA . 5.3 mm -112.89 154.17 14.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.063 0.459 . . . . 0.0 111.875 -179.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 559' ' ' ASP . . . . . 0.516 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 2.3 p30 -95.66 144.0 27.08 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.227 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 560' ' ' PRO . . . . . 0.572 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 28.3 Cg_endo -86.09 -25.16 1.49 Allowed 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.574 2.183 . . . . 0.0 112.21 179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 561' ' ' ARG . . . . . 0.409 ' HD3' ' CB ' ' W' ' 529' ' ' GLU . 0.3 OUTLIER -53.33 -23.56 9.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.94 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -149.77 -50.59 0.14 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.491 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 121.09 36.84 0.73 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.388 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -124.26 154.4 40.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.851 0.357 . . . . 0.0 110.844 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 565' ' ' ALA . . . . . 0.441 ' HA ' HD13 ' W' ' 558' ' ' ILE . . . -55.37 135.79 49.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.199 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 99.99 110.95 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.77 0.319 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . -92.12 -95.11 1.37 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.501 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 229' ' ' LEU . . . . . 0.815 HD21 ' O ' ' W' ' 555' ' ' THR . 4.3 tp 58.31 78.38 0.36 Allowed Pre-proline 0 C--N 1.327 -0.39 0 CA-C-O 120.695 0.283 . . . . 0.0 111.066 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 230' ' ' PRO . . . . . 0.472 ' HB2' ' HB2' ' P' ' 235' ' ' ALA . 81.1 Cg_exo -46.76 115.61 1.31 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.235 1.957 . . . . 0.0 111.752 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 93.7 p -70.27 61.42 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.379 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 232' ' ' TYR . . . . . 0.486 ' CD2' ' HA ' ' W' ' 553' ' ' ARG . 3.0 t80 66.74 -66.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.281 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -48.53 -54.72 13.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -73.01 -25.15 60.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 235' ' ' ALA . . . . . 0.472 ' HB2' ' HB2' ' P' ' 230' ' ' PRO . . . -57.83 -56.71 18.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.03 -57.57 8.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 3.1 p80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 99.99 110.907 -179.922 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' W' W ' 521' ' ' GLY . . . . . 0.655 ' N ' ' HD2' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.454 0 N-CA-C 110.104 -1.199 . . . . 99.99 110.104 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 522' ' ' PRO . . . . . 0.655 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 37.5 Cg_endo -65.94 -49.92 1.91 Allowed 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.667 2.244 . . . . 0.0 112.167 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 4.3 tt -177.64 125.81 0.13 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . 146.05 149.86 5.08 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.77 91.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -145.38 146.56 16.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.84 -43.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.8 0.333 . . . . 0.0 110.951 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -73.28 121.85 21.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 529' ' ' GLU . . . . . 0.456 ' CG ' ' HB2' ' W' ' 561' ' ' ARG . 51.4 tp10 -58.48 131.88 85.18 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.984 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -90.75 138.46 2.51 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.853 2.368 . . . . 0.0 112.845 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 531' ' ' LEU . . . . . 0.725 HD13 ' O ' ' W' ' 535' ' ' TRP . 0.1 OUTLIER -39.19 139.76 0.77 Allowed Pre-proline 0 N--CA 1.467 0.408 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.781 179.61 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' W' W ' 532' ' ' PRO . . . . . 0.479 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 74.1 Cg_exo -50.26 -173.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.756 2.304 . . . . 0.0 113.11 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 533' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 22.4 Cg_exo -68.92 -12.0 33.28 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.394 2.729 . . . . 0.0 115.12 -178.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 534' ' ' ARG . . . . . 0.434 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 18.6 mmt85 -142.59 44.17 1.62 Allowed 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.412 -0.515 . . . . 0.0 111.892 -178.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 535' ' ' TRP . . . . . 0.725 ' O ' HD13 ' W' ' 531' ' ' LEU . 33.9 m95 -140.61 170.0 16.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.154 0.502 . . . . 0.0 112.312 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 536' ' ' SER . . . . . 0.427 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.1 OUTLIER -138.44 -159.96 1.01 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.54 179.849 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' W' W ' 537' ' ' MET . . . . . . . . . . . . . 64.2 mtp -149.77 120.31 7.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.555 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 538' ' ' GLN . . . . . 0.457 ' HB3' HD11 ' W' ' 548' ' ' ILE . 0.8 OUTLIER -148.89 138.47 21.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.958 0.409 . . . . 0.0 111.282 -179.614 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' W' W ' 539' ' ' VAL . . . . . 0.887 HG22 ' CG2' ' W' ' 545' ' ' THR . 26.0 t -82.71 130.56 35.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.66 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 540' ' ' ALA . . . . . 0.744 ' HB2' ' CD1' ' W' ' 546' ' ' PHE . . . -95.43 155.16 39.03 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.35 -179.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.55 -21.01 70.54 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.577 2.185 . . . . 0.0 112.039 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 542' ' ' ASN . . . . . 0.449 ' ND2' ' NE ' ' W' ' 544' ' ' ARG . 40.2 t30 -54.24 -43.09 70.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.686 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 137.18 -11.51 3.85 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.637 -0.792 . . . . 0.0 113.052 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 544' ' ' ARG . . . . . 0.508 ' HG2' ' CE3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -128.26 144.77 51.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.911 0.386 . . . . 0.0 111.324 -179.845 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' W' W ' 545' ' ' THR . . . . . 0.887 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.2 OUTLIER -69.92 146.28 51.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.294 179.329 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' W' W ' 546' ' ' PHE . . . . . 0.744 ' CD1' ' HB2' ' W' ' 540' ' ' ALA . 25.2 p90 -124.14 173.48 8.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 -179.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 547' ' ' PHE . . . . . 0.505 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.5 OUTLIER -117.35 122.58 44.26 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.008 179.815 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' W' W ' 548' ' ' ILE . . . . . 0.457 HD11 ' HB3' ' W' ' 538' ' ' GLN . 2.8 mp -83.09 142.39 13.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.873 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 549' ' ' ASP . . . . . 0.484 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 23.1 t70 -116.6 117.94 31.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.726 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 550' ' ' HIS . . . . . 0.424 ' CD2' ' N ' ' W' ' 550' ' ' HIS . 6.3 m170 -81.56 -30.47 33.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.062 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -49.02 -40.03 29.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.25 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.22 2.08 4.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.84 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 553' ' ' ARG . . . . . 0.431 ' HD2' ' CE2' ' P' ' 232' ' ' TYR . 11.3 mmt180 64.37 56.3 1.31 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.816 0.341 . . . . 0.0 111.07 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 62.1 mtm180 -134.43 -163.43 1.37 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.664 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 555' ' ' THR . . . . . 0.528 ' OG1' HD21 ' P' ' 229' ' ' LEU . 19.3 p -156.03 177.48 11.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.064 0.459 . . . . 0.0 111.479 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 556' ' ' THR . . . . . 0.461 ' N ' HD21 ' P' ' 229' ' ' LEU . 0.8 OUTLIER -167.46 160.17 12.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.998 179.731 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' W' W ' 557' ' ' TRP . . . . . 0.508 ' CE3' ' HG2' ' W' ' 544' ' ' ARG . 20.7 m95 -83.45 9.87 10.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.849 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 558' ' ' ILE . . . . . 0.879 HD13 ' HA ' ' W' ' 565' ' ' ALA . 5.3 mm -132.14 148.11 32.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.885 0.374 . . . . 0.0 111.27 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 559' ' ' ASP . . . . . 0.426 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 0.8 OUTLIER -89.67 112.32 51.17 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.433 -179.42 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' W' W ' 560' ' ' PRO . . . . . 0.55 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 9.7 Cg_endo -54.16 -31.01 63.6 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 122.268 1.979 . . . . 0.0 111.651 179.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 561' ' ' ARG . . . . . 0.456 ' HB2' ' CG ' ' W' ' 529' ' ' GLU . 0.5 OUTLIER -64.91 -19.59 66.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.092 179.835 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -134.41 -69.16 0.53 Allowed 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.738 0.304 . . . . 0.0 110.977 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 563' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' W' ' 559' ' ' ASP . . . 117.47 42.89 0.61 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.588 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 564' ' ' ARG . . . . . 0.416 ' N ' HG23 ' W' ' 558' ' ' ILE . 0.5 OUTLIER -133.65 141.68 47.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.813 0.339 . . . . 0.0 110.937 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' W' W ' 565' ' ' ALA . . . . . 0.879 ' HA ' HD13 ' W' ' 558' ' ' ILE . . . -52.22 99.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.98 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 566' ' ' SER . . . . . 0.416 ' HB2' ' OD1' ' W' ' 559' ' ' ASP . 1.2 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 99.99 110.919 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 37.3 p . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.756 0.312 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . -156.82 77.57 0.2 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.584 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 229' ' ' LEU . . . . . 0.613 HD12 ' HD2' ' P' ' 230' ' ' PRO . 31.5 tp -90.65 110.44 41.37 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.48 0.181 . . . . 0.0 110.9 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 230' ' ' PRO . . . . . 0.613 ' HD2' HD12 ' P' ' 229' ' ' LEU . 67.3 Cg_exo -39.94 -34.34 0.89 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.679 2.253 . . . . 0.0 112.489 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 231' ' ' SER . . . . . 0.405 ' HA ' ' OG1' ' W' ' 555' ' ' THR . 4.2 t 68.28 43.1 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.217 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 232' ' ' TYR . . . . . 0.45 ' HB2' HG23 ' W' ' 555' ' ' THR . 1.1 t80 51.59 69.03 0.71 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.791 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -177.08 -38.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.803 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -97.42 -22.91 16.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.937 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 235' ' ' ALA . . . . . 0.547 ' HB2' ' HG2' ' P' ' 230' ' ' PRO . . . -114.48 78.36 1.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.858 0.361 . . . . 0.0 110.989 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -176.07 76.5 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 99.99 110.858 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' W' W ' 521' ' ' GLY . . . . . 0.472 ' N ' ' CD ' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 110.121 -1.192 . . . . 99.99 110.121 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 522' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' W' ' 521' ' ' GLY . 50.4 Cg_exo -52.64 -177.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.531 2.154 . . . . 0.0 112.161 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 4.3 tp -94.78 94.62 8.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.912 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -134.06 -131.22 3.09 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.594 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 7.4 t 56.22 46.87 20.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.81 0.338 . . . . 0.0 110.762 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -107.41 -149.24 15.22 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.359 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.82 88.72 2.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.791 0.329 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -122.99 129.32 51.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 529' ' ' GLU . . . . . 0.486 ' CB ' ' HD2' ' W' ' 530' ' ' PRO . 0.9 OUTLIER -109.18 -179.38 0.67 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.509 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' W' W ' 530' ' ' PRO . . . . . 0.486 ' HD2' ' CB ' ' W' ' 529' ' ' GLU . 88.6 Cg_endo -83.76 175.89 7.44 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.594 2.196 . . . . 0.0 112.54 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 531' ' ' LEU . . . . . 0.617 HD13 ' HA ' ' W' ' 536' ' ' SER . 0.9 OUTLIER -94.18 119.46 66.61 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.508 179.857 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' W' W ' 532' ' ' PRO . . . . . 0.516 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 53.3 Cg_exo -44.71 174.63 0.01 OUTLIER 'Trans proline' 0 CA--C 1.533 0.469 0 C-N-CA 122.854 2.369 . . . . 0.0 113.094 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 533' ' ' PRO . . . . . 0.516 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 59.3 Cg_exo -36.2 -59.34 0.42 Allowed 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.534 2.822 . . . . 0.0 115.068 -178.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 534' ' ' ARG . . . . . 0.475 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 7.5 mmm180 -116.67 69.87 0.76 Allowed 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.31 -178.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 535' ' ' TRP . . . . . 0.53 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 93.6 m95 -157.78 128.26 6.34 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.531 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 536' ' ' SER . . . . . 0.617 ' HA ' HD13 ' W' ' 531' ' ' LEU . 2.6 m -119.3 -173.54 2.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.81 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 537' ' ' MET . . . . . 0.456 ' HG2' ' CE1' ' W' ' 547' ' ' PHE . 45.9 mtm -133.65 144.54 49.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.689 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 538' ' ' GLN . . . . . 0.473 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 2.0 tp-100 -163.26 129.09 3.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.054 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 539' ' ' VAL . . . . . 0.546 ' HA ' HG22 ' W' ' 545' ' ' THR . 8.1 p -79.89 130.13 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.016 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 540' ' ' ALA . . . . . 0.835 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -102.22 160.91 24.96 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.355 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -64.55 -25.57 62.44 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.668 2.245 . . . . 0.0 111.24 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -49.41 -26.25 3.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.678 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 115.99 -8.85 18.65 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.882 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 544' ' ' ARG . . . . . 0.511 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.43 156.31 45.82 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.996 0.427 . . . . 0.0 111.192 -179.875 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' W' W ' 545' ' ' THR . . . . . 0.546 HG22 ' HA ' ' W' ' 539' ' ' VAL . 0.7 OUTLIER -85.34 146.65 26.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.785 179.668 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' W' W ' 546' ' ' PHE . . . . . 0.835 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 4.0 p90 -119.44 -175.96 3.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.04 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 547' ' ' PHE . . . . . 0.512 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.6 OUTLIER -125.63 129.32 49.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.428 179.918 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' W' W ' 548' ' ' ILE . . . . . 0.61 HG13 HG22 ' W' ' 555' ' ' THR . 3.0 mp -91.33 117.19 34.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.465 -179.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 549' ' ' ASP . . . . . 0.414 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 36.6 t0 -89.73 95.92 10.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.736 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -62.02 -32.68 73.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.146 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -57.48 -49.47 76.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.414 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.23 -6.19 28.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.772 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 64.91 48.87 2.25 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.867 0.365 . . . . 0.0 110.817 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 554' ' ' ARG . . . . . 0.405 ' CA ' ' HB2' ' P' ' 232' ' ' TYR . 10.6 mtp85 -143.05 -162.5 1.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 555' ' ' THR . . . . . 0.864 ' O ' HD21 ' P' ' 229' ' ' LEU . 45.1 p -145.72 157.12 43.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.085 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 556' ' ' THR . . . . . 0.506 HG23 ' H ' ' W' ' 558' ' ' ILE . 15.1 t -146.87 164.07 34.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 557' ' ' TRP . . . . . 0.511 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 36.5 m95 -92.78 17.69 10.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.288 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 558' ' ' ILE . . . . . 0.506 ' H ' HG23 ' W' ' 556' ' ' THR . 5.2 mm -133.43 147.42 31.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.849 0.357 . . . . 0.0 111.369 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 559' ' ' ASP . . . . . 0.502 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 9.2 p30 -104.33 118.06 57.71 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.915 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 560' ' ' PRO . . . . . 0.53 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 10.6 Cg_endo -56.98 -25.53 63.3 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.5 2.133 . . . . 0.0 112.812 -179.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 561' ' ' ARG . . . . . 0.444 ' CG ' ' HB2' ' W' ' 559' ' ' ASP . 0.1 OUTLIER -50.31 -37.72 37.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.153 -179.657 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -149.57 20.85 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.368 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 44.44 58.92 4.38 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.883 -0.675 . . . . 0.0 113.006 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -143.44 170.54 15.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.812 0.339 . . . . 0.0 110.813 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -72.05 117.58 13.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 99.99 110.897 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 5.7 p . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 120.806 0.336 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . -103.72 4.43 46.47 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 120.666 -0.778 . . . . 0.0 113.133 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 229' ' ' LEU . . . . . 0.864 HD21 ' O ' ' W' ' 555' ' ' THR . 4.2 tp -48.9 102.9 0.33 Allowed Pre-proline 0 CA--C 1.529 0.14 0 CA-C-N 116.855 0.328 . . . . 0.0 111.217 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -66.36 101.9 0.55 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.59 2.193 . . . . 0.0 111.898 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 231' ' ' SER . . . . . 0.414 ' O ' ' N ' ' P' ' 233' ' ' ASP . 68.8 p -48.78 163.03 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.178 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 232' ' ' TYR . . . . . 0.482 ' CE2' ' CG2' ' W' ' 548' ' ' ILE . 1.3 t80 -58.25 84.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 233' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' P' ' 231' ' ' SER . 0.3 OUTLIER 172.35 -39.53 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -96.77 -25.65 15.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.817 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -61.3 -31.24 71.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 5.1 mp -55.74 131.73 47.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.833 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 99.99 110.994 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 521' ' ' GLY . . . . . 0.644 ' N ' ' HD2' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.467 0 N-CA-C 110.102 -1.199 . . . . 99.99 110.102 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 522' ' ' PRO . . . . . 0.644 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 41.8 Cg_endo -67.78 -50.2 0.92 Allowed 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.645 2.23 . . . . 0.0 112.344 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.73 -28.55 9.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . 79.79 -101.4 1.92 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.408 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 4.1 p -172.9 62.39 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.846 0.355 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -135.6 171.43 22.64 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.531 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -145.87 77.9 1.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.809 0.338 . . . . 0.0 110.973 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -114.93 61.25 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 529' ' ' GLU . . . . . 0.415 ' O ' ' CZ ' ' W' ' 561' ' ' ARG . 0.4 OUTLIER 61.8 126.68 0.02 OUTLIER Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.749 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -89.95 149.35 4.82 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.673 2.249 . . . . 0.0 112.8 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 531' ' ' LEU . . . . . 0.853 HD21 ' HG2' ' W' ' 537' ' ' MET . 1.5 mt -64.36 125.82 89.19 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.16 179.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 532' ' ' PRO . . . . . 0.547 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 80.3 Cg_exo -47.49 -179.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.799 2.333 . . . . 0.0 112.907 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 533' ' ' PRO . . . . . 0.547 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 20.5 Cg_exo -36.93 -57.52 0.64 Allowed 'Trans proline' 0 CA--C 1.515 -0.473 0 C-N-CA 123.518 2.812 . . . . 0.0 114.991 -178.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 534' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -123.26 71.07 1.05 Allowed 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.966 -178.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 535' ' ' TRP . . . . . 0.577 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 71.0 m95 -150.9 162.44 40.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.368 0.604 . . . . 0.0 112.513 -179.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 536' ' ' SER . . . . . 0.705 ' CA ' HD22 ' W' ' 531' ' ' LEU . 16.6 m -162.61 -171.69 2.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.696 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 537' ' ' MET . . . . . 0.853 ' HG2' HD21 ' W' ' 531' ' ' LEU . 0.0 OUTLIER -155.05 138.72 16.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.094 0.473 . . . . 0.0 111.559 179.66 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' W' W ' 538' ' ' GLN . . . . . 0.786 ' HB2' HD11 ' W' ' 548' ' ' ILE . 0.9 OUTLIER -146.37 149.6 34.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.537 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' W' W ' 539' ' ' VAL . . . . . 0.848 HG22 ' CG2' ' W' ' 545' ' ' THR . 19.7 t -79.41 137.56 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.098 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 540' ' ' ALA . . . . . 0.944 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -110.03 170.93 4.82 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.311 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 541' ' ' PRO . . . . . 0.834 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 60.8 Cg_endo -73.3 -23.23 17.95 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.651 2.234 . . . . 0.0 112.06 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -51.82 -41.26 61.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.775 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 134.44 -11.24 4.66 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.964 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 544' ' ' ARG . . . . . 0.522 ' HG3' ' CE3' ' W' ' 557' ' ' TRP . 0.3 OUTLIER -130.75 156.65 44.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.879 0.371 . . . . 0.0 111.14 -179.848 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' W' W ' 545' ' ' THR . . . . . 0.848 ' CG2' HG22 ' W' ' 539' ' ' VAL . 2.0 p -79.59 146.83 32.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 546' ' ' PHE . . . . . 0.944 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 9.1 p90 -126.29 153.54 44.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 547' ' ' PHE . . . . . 0.805 ' CE2' HD23 ' W' ' 531' ' ' LEU . 1.9 m-85 -94.01 132.29 38.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.962 0.41 . . . . 0.0 110.952 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 548' ' ' ILE . . . . . 0.786 HD11 ' HB2' ' W' ' 538' ' ' GLN . 3.4 mp -89.45 130.09 39.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 549' ' ' ASP . . . . . 0.479 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 38.1 t0 -107.47 109.7 21.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.777 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -84.94 -25.18 28.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.988 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -56.4 -42.07 77.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.009 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.46 -5.51 10.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.63 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 70.89 58.07 0.21 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.797 0.332 . . . . 0.0 110.892 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -144.26 -163.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.769 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 555' ' ' THR . . . . . 0.409 HG22 ' HA ' ' W' ' 548' ' ' ILE . 68.8 p -152.53 169.2 23.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.159 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 2.6 t -160.66 162.24 32.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.107 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 557' ' ' TRP . . . . . 0.522 ' CE3' ' HG3' ' W' ' 544' ' ' ARG . 14.7 m95 -83.59 -19.66 35.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.578 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 558' ' ' ILE . . . . . 0.704 HD13 ' HA ' ' W' ' 565' ' ' ALA . 4.9 mm -110.74 145.83 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.93 0.395 . . . . 0.0 111.434 -179.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 559' ' ' ASP . . . . . 0.509 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 9.7 p30 -82.81 145.51 50.4 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.298 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 560' ' ' PRO . . . . . 0.577 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 59.0 Cg_endo -91.55 10.94 2.55 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 122.991 2.461 . . . . 0.0 112.532 179.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 561' ' ' ARG . . . . . 0.415 ' CZ ' ' O ' ' W' ' 529' ' ' GLU . 0.0 OUTLIER -107.01 18.37 21.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.114 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 7.5 p30 177.61 -46.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.065 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 105.91 41.42 1.83 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.682 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.61 143.7 50.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.866 0.365 . . . . 0.0 110.795 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 565' ' ' ALA . . . . . 0.704 ' HA ' HD13 ' W' ' 558' ' ' ILE . . . -51.46 118.11 3.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.277 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 99.99 110.976 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.889 0.376 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . -157.82 36.8 0.54 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 229' ' ' LEU . . . . . 0.407 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 0.4 OUTLIER -112.27 93.88 24.15 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.706 0.289 . . . . 0.0 110.884 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -58.95 102.66 0.15 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.564 2.176 . . . . 0.0 112.047 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 10.1 p -55.82 174.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.128 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 232' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -60.72 81.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.053 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 5.2 t70 177.35 -59.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.82 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -81.67 -22.03 37.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.092 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -69.54 -47.07 64.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.159 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 45.4 mt -75.78 98.52 4.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.997 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 99.99 110.823 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 521' ' ' GLY . . . . . 0.661 ' N ' ' HD2' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.444 0 N-CA-C 110.096 -1.202 . . . . 99.99 110.096 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 522' ' ' PRO . . . . . 0.661 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 26.3 Cg_endo -63.71 -59.35 0.21 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.583 2.189 . . . . 0.0 112.306 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 523' ' ' LEU . . . . . 0.471 HD12 ' OG ' ' W' ' 525' ' ' SER . 0.1 OUTLIER -70.61 -69.97 0.33 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.973 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . 90.04 -107.19 3.41 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.515 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 525' ' ' SER . . . . . 0.471 ' OG ' HD12 ' W' ' 523' ' ' LEU . 0.0 OUTLIER 49.89 34.14 7.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 0.0 110.995 179.896 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -61.12 174.31 5.91 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.539 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -168.67 -55.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.858 0.361 . . . . 0.0 110.891 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -81.9 152.75 26.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 529' ' ' GLU . . . . . 0.433 ' HB3' ' CZ ' ' W' ' 561' ' ' ARG . 27.0 tp10 -141.43 138.19 17.28 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.792 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 530' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' W' ' 529' ' ' GLU . 52.0 Cg_exo -55.49 146.83 61.25 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.599 2.199 . . . . 0.0 112.728 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 531' ' ' LEU . . . . . 0.962 HD21 ' HG3' ' W' ' 537' ' ' MET . 0.3 OUTLIER -96.86 141.94 23.81 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.27 179.657 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' W' W ' 532' ' ' PRO . . . . . 0.461 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 71.1 Cg_exo -49.71 -174.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.442 2.095 . . . . 0.0 113.17 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 533' ' ' PRO . . . . . 0.461 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 22.0 Cg_exo -68.1 -4.74 13.16 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 123.254 2.636 . . . . 0.0 115.232 -177.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 534' ' ' ARG . . . . . 0.427 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 27.2 mmt85 -149.93 42.37 0.86 Allowed 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 120.142 -0.623 . . . . 0.0 111.713 -179.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 535' ' ' TRP . . . . . 0.515 ' CE2' ' HG3' ' W' ' 560' ' ' PRO . 37.9 m95 -140.36 168.14 20.51 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.422 0.63 . . . . 0.0 112.549 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 536' ' ' SER . . . . . 0.811 ' CA ' HD22 ' W' ' 531' ' ' LEU . 0.4 OUTLIER -155.14 -163.39 1.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.444 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' W' W ' 537' ' ' MET . . . . . 0.962 ' HG3' HD21 ' W' ' 531' ' ' LEU . 12.9 mtm -133.32 149.51 51.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 538' ' ' GLN . . . . . 0.572 ' HB2' HD11 ' W' ' 548' ' ' ILE . 1.6 tp60 -169.06 129.84 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.799 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 539' ' ' VAL . . . . . 0.667 HG22 ' CG2' ' W' ' 545' ' ' THR . 22.3 t -81.14 133.74 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.984 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 540' ' ' ALA . . . . . 0.778 ' HB2' ' CD1' ' W' ' 546' ' ' PHE . . . -104.07 151.49 38.98 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.194 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -59.46 -26.03 80.59 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.597 2.198 . . . . 0.0 111.688 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -49.63 -39.15 34.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.705 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 129.06 -6.1 6.41 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.739 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 544' ' ' ARG . . . . . 0.517 ' CD ' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.94 145.43 51.49 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.872 0.367 . . . . 0.0 111.118 -179.875 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' W' W ' 545' ' ' THR . . . . . 0.667 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.2 OUTLIER -72.29 146.16 47.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.425 179.306 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' W' W ' 546' ' ' PHE . . . . . 0.778 ' CD1' ' HB2' ' W' ' 540' ' ' ALA . 14.0 p90 -122.01 159.21 27.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.092 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 547' ' ' PHE . . . . . 0.589 ' CE2' HD23 ' W' ' 531' ' ' LEU . 0.5 OUTLIER -103.3 125.73 50.09 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.264 -179.674 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' W' W ' 548' ' ' ILE . . . . . 0.572 HD11 ' HB2' ' W' ' 538' ' ' GLN . 3.1 mt -83.74 149.48 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.753 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -127.31 106.27 9.1 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.165 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -75.99 -26.1 56.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.791 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -52.16 -32.65 36.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.657 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 552' ' ' SER . . . . . 0.403 ' O ' ' HG3' ' W' ' 554' ' ' ARG . 0.2 OUTLIER -137.6 13.36 2.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.166 179.735 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' W' W ' 553' ' ' ARG . . . . . 0.475 ' HA ' ' CD2' ' P' ' 232' ' ' TYR . 9.0 mmt85 52.4 63.32 2.29 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.669 0.271 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 554' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' W' ' 552' ' ' SER . 29.2 mtp85 -147.15 -167.23 2.72 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.821 0.343 . . . . 0.0 111.456 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 555' ' ' THR . . . . . 0.507 HG23 ' N ' ' P' ' 232' ' ' TYR . 81.7 p -143.88 -175.8 4.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 556' ' ' THR . . . . . 0.464 ' HA ' HD21 ' P' ' 229' ' ' LEU . 0.9 OUTLIER -178.51 161.6 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.259 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' W' W ' 557' ' ' TRP . . . . . 0.579 ' CD2' HD13 ' P' ' 229' ' ' LEU . 19.1 m95 -85.56 11.47 10.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.756 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 558' ' ' ILE . . . . . 0.444 HG23 ' N ' ' W' ' 564' ' ' ARG . 5.4 mm -130.19 149.43 33.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.976 0.417 . . . . 0.0 111.697 -179.179 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 559' ' ' ASP . . . . . 0.49 ' HB3' ' CD1' ' W' ' 547' ' ' PHE . 2.0 p30 -105.56 118.88 54.43 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.987 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 560' ' ' PRO . . . . . 0.515 ' HG3' ' CE2' ' W' ' 535' ' ' TRP . 9.0 Cg_endo -52.93 -35.25 70.25 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.23 1.953 . . . . 0.0 112.016 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 561' ' ' ARG . . . . . 0.433 ' CZ ' ' HB3' ' W' ' 529' ' ' GLU . 0.0 OUTLIER -49.78 -31.47 11.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.975 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' W' W ' 562' ' ' ASN . . . . . 0.42 ' ND2' ' OD1' ' W' ' 559' ' ' ASP . 4.4 m-80 -131.86 -66.03 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 122.31 38.53 0.59 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.363 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 564' ' ' ARG . . . . . 0.444 ' N ' HG23 ' W' ' 558' ' ' ILE . 12.5 mtt180 -140.72 175.04 9.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.816 0.341 . . . . 0.0 111.153 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -51.88 108.07 0.25 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.34 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 115.99 -0.55 . . . . 99.99 110.868 179.84 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.729 0.299 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . -138.76 53.96 0.69 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.729 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 229' ' ' LEU . . . . . 0.579 HD13 ' CD2' ' W' ' 557' ' ' TRP . 13.8 tp -113.02 82.02 5.04 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.69 0.281 . . . . 0.0 111.003 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 230' ' ' PRO . . . . . 0.815 ' HB3' ' HB2' ' P' ' 235' ' ' ALA . 90.2 Cg_exo -44.34 100.8 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.624 2.216 . . . . 0.0 112.306 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 231' ' ' SER . . . . . 0.402 ' HA ' ' OG1' ' W' ' 555' ' ' THR . 2.0 m -51.07 174.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.265 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 232' ' ' TYR . . . . . 0.635 ' CD1' HD13 ' P' ' 236' ' ' LEU . 1.1 t80 -86.77 77.63 9.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.899 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -179.59 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.391 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -98.48 -27.88 13.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.561 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 235' ' ' ALA . . . . . 0.815 ' HB2' ' HB3' ' P' ' 230' ' ' PRO . . . -106.25 67.74 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.962 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 236' ' ' LEU . . . . . 0.635 HD13 ' CD1' ' P' ' 232' ' ' TYR . 0.3 OUTLIER -157.07 56.71 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.885 -179.718 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 5.7 p80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 99.99 110.894 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' W' W ' 521' ' ' GLY . . . . . 0.611 ' N ' ' HD2' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.47 0 N-CA-C 110.094 -1.202 . . . . 99.99 110.094 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 522' ' ' PRO . . . . . 0.611 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 53.9 Cg_endo -69.95 -31.35 19.85 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.592 2.195 . . . . 0.0 112.343 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 34.8 tp -148.94 117.99 6.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -179.94 61.74 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 16.5 t -78.68 -25.12 44.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.729 0.299 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . 138.86 150.06 5.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 67.52 41.83 2.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -155.33 104.97 2.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.735 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 529' ' ' GLU . . . . . 0.442 ' HG2' ' CB ' ' W' ' 561' ' ' ARG . 4.5 tp10 -49.51 139.99 14.38 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.763 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -86.48 33.47 0.45 Allowed 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.867 2.378 . . . . 0.0 113.232 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 531' ' ' LEU . . . . . 0.753 HD13 ' HA ' ' W' ' 536' ' ' SER . 4.3 mt 62.45 127.95 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.305 0 N-CA-C 110.421 -0.214 . . . . 0.0 110.421 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 532' ' ' PRO . . . . . 0.466 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 71.1 Cg_exo -49.76 -174.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.525 2.15 . . . . 0.0 113.348 -179.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 533' ' ' PRO . . . . . 0.466 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 24.6 Cg_exo -66.41 -12.84 37.38 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.323 2.682 . . . . 0.0 115.208 -178.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 534' ' ' ARG . . . . . 0.436 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 19.7 mmt85 -142.84 44.13 1.59 Allowed 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 120.261 -0.576 . . . . 0.0 111.825 -178.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 535' ' ' TRP . . . . . 0.534 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 43.0 m95 -140.94 167.89 21.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.337 0.589 . . . . 0.0 112.531 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 536' ' ' SER . . . . . 0.753 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.1 OUTLIER -146.54 -157.31 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.43 -179.893 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' W' W ' 537' ' ' MET . . . . . 0.447 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 28.2 mtm -147.36 144.38 28.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.842 0.353 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 538' ' ' GLN . . . . . 0.404 ' O ' ' CD1' ' W' ' 546' ' ' PHE . 1.9 tp-100 -165.62 133.35 2.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.136 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 539' ' ' VAL . . . . . 0.592 HG22 ' CG2' ' W' ' 545' ' ' THR . 2.8 t -82.08 135.58 24.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.687 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 540' ' ' ALA . . . . . 0.877 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -108.89 158.59 33.75 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.286 -179.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 541' ' ' PRO . . . . . 0.462 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 36.7 Cg_endo -65.12 -21.76 62.43 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.479 2.12 . . . . 0.0 111.829 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -49.63 -43.4 46.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.833 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 137.91 -14.09 3.59 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.688 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 544' ' ' ARG . . . . . 0.509 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.58 157.11 44.49 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.993 0.425 . . . . 0.0 111.272 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' W' W ' 545' ' ' THR . . . . . 0.592 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.6 OUTLIER -79.09 146.15 33.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.224 179.418 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' W' W ' 546' ' ' PHE . . . . . 0.877 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 9.2 p90 -118.06 173.23 6.9 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.024 0.44 . . . . 0.0 111.33 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 547' ' ' PHE . . . . . 0.495 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.6 OUTLIER -116.42 127.49 54.65 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.196 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' W' W ' 548' ' ' ILE . . . . . 0.621 HG13 HG22 ' W' ' 555' ' ' THR . 2.7 mp -87.22 145.74 7.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.443 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -122.9 109.12 13.75 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.954 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -73.18 -32.46 64.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.973 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -49.78 -48.16 50.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.016 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.5 -1.95 14.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.606 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 553' ' ' ARG . . . . . 0.4 ' HA ' ' CD2' ' P' ' 232' ' ' TYR . 6.9 mmt180 62.89 62.53 1.04 Allowed 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.661 0.267 . . . . 0.0 110.911 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 554' ' ' ARG . . . . . 0.437 ' CA ' ' HB3' ' P' ' 232' ' ' TYR . 39.3 mtp180 -150.32 -167.52 2.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.017 0.436 . . . . 0.0 111.275 -179.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 555' ' ' THR . . . . . 0.782 ' OG1' HD11 ' P' ' 229' ' ' LEU . 37.5 p -140.77 176.56 8.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 556' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' W' ' 546' ' ' PHE . 0.2 OUTLIER -170.29 165.87 8.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.433 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' W' W ' 557' ' ' TRP . . . . . 0.509 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 20.0 m95 -92.09 19.55 6.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.308 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 558' ' ' ILE . . . . . 0.432 HG23 ' N ' ' W' ' 564' ' ' ARG . 5.3 mm -132.55 149.48 32.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.977 0.418 . . . . 0.0 111.646 -179.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 559' ' ' ASP . . . . . 0.482 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 12.3 p30 -104.53 113.4 65.08 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.811 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 560' ' ' PRO . . . . . 0.534 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 5.3 Cg_endo -50.91 -26.92 19.33 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.286 1.991 . . . . 0.0 112.278 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 561' ' ' ARG . . . . . 0.442 ' CB ' ' HG2' ' W' ' 529' ' ' GLU . 0.3 OUTLIER -61.97 -23.2 66.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.995 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' W' W ' 562' ' ' ASN . . . . . 0.407 ' ND2' ' OD2' ' W' ' 559' ' ' ASP . 5.5 m-20 -132.99 -60.14 0.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.716 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 117.26 24.62 3.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.597 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 564' ' ' ARG . . . . . 0.432 ' N ' HG23 ' W' ' 558' ' ' ILE . 23.7 mtt-85 -136.29 -175.93 4.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.882 0.372 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -48.87 115.58 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.211 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.113 -0.494 . . . . 99.99 110.888 179.924 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.773 0.321 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . 97.04 28.07 8.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.522 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 229' ' ' LEU . . . . . 0.782 HD11 ' OG1' ' W' ' 555' ' ' THR . 1.7 tm? -99.0 106.55 38.74 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.541 0.21 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 230' ' ' PRO . . . . . 0.89 ' HB2' ' HB2' ' P' ' 235' ' ' ALA . 11.7 Cg_exo -70.16 109.3 2.35 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.638 2.225 . . . . 0.0 111.912 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 88.1 p -52.96 163.38 0.5 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.966 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 232' ' ' TYR . . . . . 0.565 ' CG ' HG23 ' W' ' 548' ' ' ILE . 1.1 t80 -78.76 67.23 4.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.784 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -163.0 -43.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.319 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -99.3 -22.6 15.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.821 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 235' ' ' ALA . . . . . 0.89 ' HB2' ' HB2' ' P' ' 230' ' ' PRO . . . -76.84 -57.13 4.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.042 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.21 109.65 0.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.8 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 99.99 110.893 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' W' W ' 521' ' ' GLY . . . . . 0.468 ' N ' ' CD ' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 110.098 -1.201 . . . . 99.99 110.098 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' W' W ' 522' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' W' ' 521' ' ' GLY . 39.3 Cg_exo -57.23 -32.54 93.87 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.687 2.258 . . . . 0.0 112.393 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.99 73.55 0.47 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.926 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -112.67 133.12 11.15 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.435 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.44 94.46 9.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -145.21 96.1 0.18 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.436 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -156.13 74.99 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 110.826 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.88 124.95 25.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.032 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' W' W ' 529' ' ' GLU . . . . . 0.422 ' HB3' ' CD ' ' W' ' 561' ' ' ARG . 18.4 tp10 -86.78 140.31 33.26 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.711 179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -86.24 38.3 0.58 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.845 2.364 . . . . 0.0 113.139 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' W' W ' 531' ' ' LEU . . . . . 0.614 HD13 ' HA ' ' W' ' 536' ' ' SER . 1.4 mt 61.99 125.67 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' W' W ' 532' ' ' PRO . . . . . 0.467 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 75.7 Cg_exo -49.64 -174.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.483 2.122 . . . . 0.0 113.397 -179.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' W' W ' 533' ' ' PRO . . . . . 0.467 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 23.8 Cg_exo -67.36 -12.66 36.62 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.45 2.767 . . . . 0.0 115.122 -178.082 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' W' W ' 534' ' ' ARG . . . . . 0.438 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 24.3 mmt180 -141.89 42.05 1.69 Allowed 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 120.341 -0.544 . . . . 0.0 111.754 -178.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' W' W ' 535' ' ' TRP . . . . . 0.545 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 39.6 m95 -140.59 169.1 18.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.272 0.558 . . . . 0.0 112.337 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' W' W ' 536' ' ' SER . . . . . 0.614 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.1 OUTLIER -147.12 -159.37 1.02 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.65 -179.842 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' W' W ' 537' ' ' MET . . . . . 0.404 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 15.8 mtp -144.32 140.8 29.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.634 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' W' W ' 538' ' ' GLN . . . . . 0.465 ' O ' ' CD1' ' W' ' 546' ' ' PHE . 46.0 tt0 -165.71 136.27 3.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.237 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' W' W ' 539' ' ' VAL . . . . . 0.638 HG22 ' CG2' ' W' ' 545' ' ' THR . 4.8 t -84.39 127.32 39.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.745 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' W' W ' 540' ' ' ALA . . . . . 0.559 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -92.81 151.44 40.84 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.428 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' W' W ' 541' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' P' ' 230' ' ' PRO . 19.7 Cg_endo -58.3 -22.64 58.7 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.547 2.165 . . . . 0.0 111.78 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -54.56 -29.95 52.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.685 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 120.55 -4.36 12.03 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.765 -0.731 . . . . 0.0 113.005 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' W' W ' 544' ' ' ARG . . . . . 0.518 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.7 OUTLIER -131.18 157.01 44.34 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.012 0.434 . . . . 0.0 111.18 -179.862 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' W' W ' 545' ' ' THR . . . . . 0.638 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.2 OUTLIER -84.38 146.5 27.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.661 179.479 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' W' W ' 546' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 5.3 p90 -121.6 -179.36 4.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.012 0.434 . . . . 0.0 111.233 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' W' W ' 547' ' ' PHE . . . . . 0.489 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.5 OUTLIER -124.17 118.84 27.78 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.677 179.762 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' W' W ' 548' ' ' ILE . . . . . 0.548 ' HA ' HG22 ' W' ' 555' ' ' THR . 3.2 mt -79.93 147.06 6.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.395 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -126.87 115.76 19.8 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.877 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -81.39 -30.48 33.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.057 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -50.6 -37.57 40.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.11 -4.21 7.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.529 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' W' W ' 553' ' ' ARG . . . . . 0.474 ' HA ' ' CD2' ' P' ' 232' ' ' TYR . 17.9 mmt180 65.81 59.83 0.72 Allowed 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.637 0.256 . . . . 0.0 110.811 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' W' W ' 554' ' ' ARG . . . . . 0.444 ' CA ' ' HB3' ' P' ' 232' ' ' TYR . 53.5 mtm180 -149.76 -166.8 2.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.257 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' W' W ' 555' ' ' THR . . . . . 0.548 HG22 ' HA ' ' W' ' 548' ' ' ILE . 53.2 p -143.76 178.72 7.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -171.89 166.12 6.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.342 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' W' W ' 557' ' ' TRP . . . . . 0.518 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 24.0 m95 -92.0 19.78 6.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.508 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' W' W ' 558' ' ' ILE . . . . . 0.422 ' CG2' ' HA2' ' W' ' 563' ' ' GLY . 5.7 mm -133.26 141.8 43.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.048 0.451 . . . . 0.0 112.048 -178.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' W' W ' 559' ' ' ASP . . . . . 0.421 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 3.4 m-20 -91.82 110.1 41.42 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.79 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' W' W ' 560' ' ' PRO . . . . . 0.545 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 5.2 Cg_endo -51.5 -25.76 20.1 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.073 1.849 . . . . 0.0 111.832 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' W' W ' 561' ' ' ARG . . . . . 0.422 ' CD ' ' HB3' ' W' ' 529' ' ' GLU . 0.2 OUTLIER -63.14 -22.25 66.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.918 179.633 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -138.51 -69.21 0.44 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.665 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' W' W ' 563' ' ' GLY . . . . . 0.422 ' HA2' ' CG2' ' W' ' 558' ' ' ILE . . . 124.05 44.48 0.3 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.51 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' W' W ' 564' ' ' ARG . . . . . 0.422 ' N ' HG23 ' W' ' 558' ' ' ILE . 16.7 mtt180 -141.17 169.38 17.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.945 0.402 . . . . 0.0 111.046 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.53 117.69 7.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.225 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' W' W ' 566' ' ' SER . . . . . 0.4 ' HB2' ' OD1' ' W' ' 559' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.045 -0.525 . . . . 99.99 110.717 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 3.9 t . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.807 0.337 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . 113.48 40.5 1.02 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.577 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 229' ' ' LEU . . . . . 0.497 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 0.9 OUTLIER -101.75 104.37 34.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.501 0.191 . . . . 0.0 111.03 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' P' P ' 230' ' ' PRO . . . . . 0.771 ' HB2' ' HB2' ' P' ' 235' ' ' ALA . 22.7 Cg_exo -64.08 96.05 0.21 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.43 2.087 . . . . 0.0 111.698 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 16.5 p -46.54 154.25 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.478 -179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 232' ' ' TYR . . . . . 0.501 ' CG ' HG23 ' W' ' 548' ' ' ILE . 1.1 t80 -66.89 73.85 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -176.34 -39.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.381 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -113.46 22.89 13.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.873 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 235' ' ' ALA . . . . . 0.771 ' HB2' ' HB2' ' P' ' 230' ' ' PRO . . . -119.75 -37.26 3.15 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.099 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 3.8 tt -59.28 117.6 4.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 41.3 m170 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 99.99 110.927 179.908 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' W' W ' 521' ' ' GLY . . . . . 0.599 ' N ' ' HD2' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.466 0 N-CA-C 110.11 -1.196 . . . . 99.99 110.11 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' W' W ' 522' ' ' PRO . . . . . 0.599 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 59.6 Cg_endo -71.92 80.84 1.45 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.666 2.244 . . . . 0.0 112.438 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 49.5 76.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.039 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -166.01 129.13 1.88 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 23.5 p -111.16 76.81 1.0 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.832 0.349 . . . . 0.0 110.769 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . 153.16 161.83 10.59 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 51.45 89.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 178.93 102.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' W' W ' 529' ' ' GLU . . . . . 0.427 ' O ' ' NE ' ' W' ' 561' ' ' ARG . 2.5 tp10 -72.77 140.26 81.06 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.713 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' W' W ' 530' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' W' ' 529' ' ' GLU . 52.1 Cg_exo -55.81 168.63 1.64 Allowed 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.374 2.049 . . . . 0.0 112.311 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' W' W ' 531' ' ' LEU . . . . . 0.702 HD13 ' HA ' ' W' ' 536' ' ' SER . 3.9 mt -87.21 137.0 33.0 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.107 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' W' W ' 532' ' ' PRO . . . . . 0.491 ' HB2' ' CD1' ' W' ' 535' ' ' TRP . 77.4 Cg_exo -49.69 -176.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.329 2.02 . . . . 0.0 112.942 -179.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' W' W ' 533' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 19.0 Cg_exo -70.03 -2.47 10.43 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 123.26 2.64 . . . . 0.0 115.142 -177.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' W' W ' 534' ' ' ARG . . . . . 0.431 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 16.2 mmt180 -150.5 39.52 0.73 Allowed 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 120.089 -0.645 . . . . 0.0 111.709 -179.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' W' W ' 535' ' ' TRP . . . . . 0.545 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 31.9 m95 -138.82 169.66 17.4 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' W' W ' 536' ' ' SER . . . . . 0.702 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.1 OUTLIER -144.12 -158.5 0.89 Allowed 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.44 -179.884 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' W' W ' 537' ' ' MET . . . . . 0.441 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 34.5 mtp -143.5 145.75 32.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.607 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' W' W ' 538' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -169.2 134.1 1.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 0.0 111.408 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' W' W ' 539' ' ' VAL . . . . . 0.653 HG22 ' CG2' ' W' ' 545' ' ' THR . 11.7 t -85.67 125.62 40.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.577 179.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' W' W ' 540' ' ' ALA . . . . . 0.775 ' HB2' ' CD1' ' W' ' 546' ' ' PHE . . . -96.73 148.68 34.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.567 -179.203 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -56.69 -24.38 54.42 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.602 2.201 . . . . 0.0 111.723 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -48.09 -44.65 31.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.854 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 140.03 -16.32 3.01 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.722 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' W' W ' 544' ' ' ARG . . . . . 0.482 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -128.29 154.39 45.96 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.009 0.433 . . . . 0.0 111.253 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' W' W ' 545' ' ' THR . . . . . 0.653 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.8 OUTLIER -75.14 144.75 42.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.411 179.588 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' W' W ' 546' ' ' PHE . . . . . 0.775 ' CD1' ' HB2' ' W' ' 540' ' ' ALA . 13.0 p90 -119.97 162.6 18.93 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' W' W ' 547' ' ' PHE . . . . . 0.459 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.5 OUTLIER -109.35 127.45 54.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.148 -179.747 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' W' W ' 548' ' ' ILE . . . . . 0.625 HG23 ' CG ' ' P' ' 232' ' ' TYR . 2.7 mp -86.74 143.88 10.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.366 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' W' W ' 549' ' ' ASP . . . . . 0.444 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 26.0 t70 -123.66 114.23 19.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.171 -179.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -78.76 -34.4 45.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.063 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -49.57 -36.37 23.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.014 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.64 -3.11 8.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.603 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' W' W ' 553' ' ' ARG . . . . . 0.448 ' HA ' ' CD2' ' P' ' 232' ' ' TYR . 25.5 mmt85 61.26 58.83 2.08 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.734 0.302 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' W' W ' 554' ' ' ARG . . . . . 0.441 ' CA ' ' HB3' ' P' ' 232' ' ' TYR . 39.3 mtp180 -149.58 -171.22 3.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 0.0 111.209 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' W' W ' 555' ' ' THR . . . . . 0.522 HG22 HG13 ' W' ' 548' ' ' ILE . 43.0 p -141.59 174.69 10.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.242 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' W' W ' 556' ' ' THR . . . . . 0.467 HG23 ' H ' ' W' ' 558' ' ' ILE . 9.3 t -168.69 168.22 10.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.279 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' W' W ' 557' ' ' TRP . . . . . 0.488 ' CE2' ' HB2' ' P' ' 229' ' ' LEU . 27.7 m95 -91.6 20.51 5.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.293 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' W' W ' 558' ' ' ILE . . . . . 0.467 ' H ' HG23 ' W' ' 556' ' ' THR . 5.4 mm -133.23 139.18 49.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.042 0.449 . . . . 0.0 111.917 -179.06 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' W' W ' 559' ' ' ASP . . . . . 0.431 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 3.2 m-20 -93.57 113.77 61.17 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.282 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' W' W ' 560' ' ' PRO . . . . . 0.545 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 7.7 Cg_endo -52.94 -25.9 29.61 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 121.936 1.757 . . . . 0.0 111.692 179.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' W' W ' 561' ' ' ARG . . . . . 0.427 ' NE ' ' O ' ' W' ' 529' ' ' GLU . 0.5 OUTLIER -60.78 -26.39 67.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.593 179.694 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -134.3 -68.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.75 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 122.67 39.19 0.55 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.464 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -133.04 172.77 12.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.807 0.337 . . . . 0.0 111.044 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' W' W ' 565' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' W' ' 557' ' ' TRP . . . -67.12 65.09 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.494 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 3.6 p . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.369 -0.378 . . . . 99.99 111.387 179.716 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 120.853 0.358 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' P' P ' 228' ' ' GLY . . . . . 0.411 ' O ' ' HD3' ' P' ' 230' ' ' PRO . . . 139.91 50.9 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.327 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 229' ' ' LEU . . . . . 0.488 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 3.5 tp -111.62 87.67 8.39 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.627 0.251 . . . . 0.0 110.977 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 230' ' ' PRO . . . . . 0.73 ' HB2' ' HB2' ' P' ' 235' ' ' ALA . 52.7 Cg_exo -51.54 101.22 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.316 2.01 . . . . 0.0 111.735 179.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 231' ' ' SER . . . . . 0.406 ' HA ' ' OG1' ' W' ' 555' ' ' THR . 52.5 p -51.3 152.0 2.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.038 -179.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 232' ' ' TYR . . . . . 0.625 ' CG ' HG23 ' W' ' 548' ' ' ILE . 1.2 t80 -62.17 81.99 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.085 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 5.8 t70 179.89 -37.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.467 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.49 18.4 13.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.15 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 235' ' ' ALA . . . . . 0.73 ' HB2' ' HB2' ' P' ' 230' ' ' PRO . . . -113.29 -36.92 4.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.87 0.367 . . . . 0.0 111.231 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 1.6 tt -59.06 122.97 15.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 99.99 110.92 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' W' W ' 521' ' ' GLY . . . . . 0.47 ' N ' ' CD ' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 110.094 -1.203 . . . . 99.99 110.094 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' W' W ' 522' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' W' ' 521' ' ' GLY . 51.8 Cg_exo -54.31 -170.51 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.602 2.202 . . . . 0.0 112.238 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' W' W ' 523' ' ' LEU . . . . . 0.711 HD23 ' N ' ' W' ' 523' ' ' LEU . 0.3 OUTLIER -138.18 41.43 2.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.942 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -106.57 -23.64 7.11 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 2.0 t -76.17 83.32 2.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.858 0.361 . . . . 0.0 110.842 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -123.37 -133.94 4.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.541 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.1 -62.2 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.77 0.319 . . . . 0.0 111.035 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -134.27 119.56 18.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.008 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' W' W ' 529' ' ' GLU . . . . . 0.447 ' CB ' ' HB2' ' W' ' 561' ' ' ARG . 2.5 tp10 -104.27 154.81 38.01 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.416 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' W' W ' 530' ' ' PRO . . . . . 0.429 ' HD2' ' HG3' ' W' ' 529' ' ' GLU . 3.2 Cg_endo -86.91 30.55 0.47 Allowed 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.978 2.452 . . . . 0.0 113.043 -179.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' W' W ' 531' ' ' LEU . . . . . 0.652 HD13 ' HA ' ' W' ' 536' ' ' SER . 2.2 mt 61.96 132.2 0.03 OUTLIER Pre-proline 0 C--N 1.331 -0.227 0 CA-C-O 120.548 0.213 . . . . 0.0 110.595 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' W' W ' 532' ' ' PRO . . . . . 0.466 ' HB2' ' CD1' ' W' ' 535' ' ' TRP . 75.2 Cg_exo -50.23 -174.23 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.415 2.077 . . . . 0.0 113.057 -179.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' W' W ' 533' ' ' PRO . . . . . 0.465 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 22.0 Cg_exo -68.77 -13.18 36.43 Favored 'Trans proline' 0 CA--C 1.518 -0.299 0 C-N-CA 123.313 2.675 . . . . 0.0 115.154 -178.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' W' W ' 534' ' ' ARG . . . . . 0.438 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 11.3 mmt180 -142.82 45.33 1.59 Allowed 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 120.263 -0.575 . . . . 0.0 111.788 -178.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' W' W ' 535' ' ' TRP . . . . . 0.539 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 38.5 m95 -141.8 169.54 17.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.211 0.529 . . . . 0.0 112.383 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' W' W ' 536' ' ' SER . . . . . 0.652 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.1 OUTLIER -145.81 -158.87 0.94 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.412 179.879 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' W' W ' 537' ' ' MET . . . . . 0.444 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 27.4 mtp -145.52 146.76 31.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.833 0.349 . . . . 0.0 110.958 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' W' W ' 538' ' ' GLN . . . . . 0.469 ' HG2' ' CZ ' ' W' ' 546' ' ' PHE . 41.2 tt0 -168.95 137.32 2.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.961 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' W' W ' 539' ' ' VAL . . . . . 0.834 HG22 ' CG2' ' W' ' 545' ' ' THR . 31.8 t -85.88 130.35 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.86 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' W' W ' 540' ' ' ALA . . . . . 0.805 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -100.36 148.52 35.04 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.355 -179.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.11 -22.73 65.68 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.513 2.142 . . . . 0.0 111.547 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -49.5 -43.77 45.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.745 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 140.18 -14.19 3.03 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.692 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' W' W ' 544' ' ' ARG . . . . . 0.502 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.15 155.19 47.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.953 0.406 . . . . 0.0 111.235 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' W' W ' 545' ' ' THR . . . . . 0.834 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.5 OUTLIER -78.08 146.4 35.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.097 179.179 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' W' W ' 546' ' ' PHE . . . . . 0.805 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 5.9 p90 -119.11 166.03 13.42 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.043 0.449 . . . . 0.0 111.137 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' W' W ' 547' ' ' PHE . . . . . 0.555 ' CZ ' HD22 ' W' ' 531' ' ' LEU . 0.3 OUTLIER -111.01 123.01 49.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.371 -179.463 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' W' W ' 548' ' ' ILE . . . . . . . . . . . . . 3.1 mt -83.27 144.35 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.371 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' W' W ' 549' ' ' ASP . . . . . 0.456 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 58.7 t0 -123.37 115.71 22.09 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.792 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -79.58 -29.65 41.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -52.28 -46.1 65.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.62 -4.77 13.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.513 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' W' W ' 553' ' ' ARG . . . . . 0.49 ' HA ' ' CD2' ' P' ' 232' ' ' TYR . 0.8 OUTLIER 65.02 49.45 2.06 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.782 0.325 . . . . 0.0 110.956 -179.725 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 10.3 mtp85 -141.43 -172.45 3.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.963 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' W' W ' 555' ' ' THR . . . . . 0.589 HG23 ' N ' ' P' ' 232' ' ' TYR . 52.8 p -135.87 -176.84 4.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.863 0.363 . . . . 0.0 111.432 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -174.48 166.1 3.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.157 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' W' W ' 557' ' ' TRP . . . . . 0.502 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 22.2 m95 -91.29 19.25 6.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.418 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 4.9 mm -132.5 140.21 48.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.001 0.429 . . . . 0.0 111.826 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' W' W ' 559' ' ' ASP . . . . . 0.515 ' HB3' ' CE2' ' W' ' 547' ' ' PHE . 21.5 p30 -94.06 110.78 50.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' W' W ' 560' ' ' PRO . . . . . 0.539 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 5.0 Cg_endo -50.89 -31.36 33.52 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.212 1.942 . . . . 0.0 112.217 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' W' W ' 561' ' ' ARG . . . . . 0.447 ' HB2' ' CB ' ' W' ' 529' ' ' GLU . 0.1 OUTLIER -56.13 -22.39 28.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.015 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' W' W ' 562' ' ' ASN . . . . . 0.42 ' ND2' ' OD2' ' W' ' 559' ' ' ASP . 3.3 m-20 -136.63 -65.6 0.55 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.858 0.361 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 122.49 33.2 0.89 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.534 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -134.61 179.05 6.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.938 0.399 . . . . 0.0 110.853 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -56.72 111.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.061 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.077 -0.511 . . . . 99.99 110.996 -179.84 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 17.0 p . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.822 0.344 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' P' P ' 228' ' ' GLY . . . . . 0.402 ' O ' ' HD3' ' P' ' 230' ' ' PRO . . . 66.01 44.0 92.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.562 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 229' ' ' LEU . . . . . 0.501 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 1.0 OUTLIER -110.17 91.48 11.46 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.732 0.301 . . . . 0.0 111.026 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' P' P ' 230' ' ' PRO . . . . . 0.568 ' CB ' ' HB2' ' P' ' 235' ' ' ALA . 76.9 Cg_exo -49.48 91.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.54 2.16 . . . . 0.0 111.776 179.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -48.29 161.26 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.403 -179.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 232' ' ' TYR . . . . . 0.589 ' N ' HG23 ' W' ' 555' ' ' THR . 1.0 OUTLIER -70.55 76.36 0.58 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.889 -179.888 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -176.52 -44.09 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.419 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -114.64 21.34 14.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.958 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 235' ' ' ALA . . . . . 0.568 ' HB2' ' CB ' ' P' ' 230' ' ' PRO . . . -114.11 -40.23 3.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.841 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.04 -43.61 73.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.814 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 99.99 110.891 179.947 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' W' W ' 521' ' ' GLY . . . . . 0.627 ' N ' ' HD2' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.455 0 N-CA-C 110.101 -1.199 . . . . 99.99 110.101 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' W' W ' 522' ' ' PRO . . . . . 0.627 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 56.0 Cg_endo -69.93 -177.18 1.81 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.573 2.182 . . . . 0.0 112.312 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 2.2 tp -100.33 71.24 1.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.805 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -49.32 155.77 1.84 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.549 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 1.4 m -100.41 27.4 5.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.371 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -107.59 173.75 18.85 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.676 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.89 26.62 3.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.849 0.357 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -66.57 85.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.757 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' W' W ' 529' ' ' GLU . . . . . 0.406 ' HB2' ' CZ ' ' W' ' 561' ' ' ARG . 0.2 OUTLIER -71.22 149.59 94.3 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.077 -179.806 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.46 136.75 73.66 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.662 2.242 . . . . 0.0 112.706 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' W' W ' 531' ' ' LEU . . . . . 0.706 HD13 ' HA ' ' W' ' 536' ' ' SER . 4.0 mt -90.37 136.75 28.08 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.753 179.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' W' W ' 532' ' ' PRO . . . . . 0.498 ' HB2' ' CD1' ' W' ' 535' ' ' TRP . 74.6 Cg_exo -49.72 -176.76 0.01 OUTLIER 'Trans proline' 0 CA--C 1.53 0.309 0 C-N-CA 122.322 2.015 . . . . 0.0 113.31 -178.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' W' W ' 533' ' ' PRO . . . . . 0.419 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 19.1 Cg_exo -70.01 -2.99 11.28 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 123.472 2.781 . . . . 0.0 115.159 -177.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' W' W ' 534' ' ' ARG . . . . . 0.439 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 5.7 mmt180 -149.85 40.08 0.8 Allowed 'General case' 0 C--N 1.314 -0.939 0 C-N-CA 120.23 -0.588 . . . . 0.0 111.511 -179.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' W' W ' 535' ' ' TRP . . . . . 0.517 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 30.1 m95 -140.22 169.29 17.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.391 0.615 . . . . 0.0 112.467 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' W' W ' 536' ' ' SER . . . . . 0.706 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.2 OUTLIER -146.29 -160.87 1.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.291 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' W' W ' 537' ' ' MET . . . . . 0.458 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 37.2 mtp -142.29 136.78 30.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.67 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' W' W ' 538' ' ' GLN . . . . . 0.475 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 1.4 tp60 -159.61 129.07 5.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.122 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' W' W ' 539' ' ' VAL . . . . . 0.952 HG22 ' CG2' ' W' ' 545' ' ' THR . 21.4 t -79.45 131.51 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.707 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' W' W ' 540' ' ' ALA . . . . . 0.79 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -99.21 151.9 37.58 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 -179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -60.85 -23.49 76.96 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.458 2.105 . . . . 0.0 111.41 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' W' W ' 542' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' P' ' 228' ' ' GLY . 58.7 t30 -48.77 -38.89 23.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.703 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 132.3 -11.23 5.29 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.645 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' W' W ' 544' ' ' ARG . . . . . 0.5 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.2 156.34 45.51 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.988 0.423 . . . . 0.0 111.136 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' W' W ' 545' ' ' THR . . . . . 0.952 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.6 OUTLIER -83.12 146.46 28.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.517 179.628 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' W' W ' 546' ' ' PHE . . . . . 0.79 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 5.3 p90 -119.38 -178.4 3.59 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' W' W ' 547' ' ' PHE . . . . . 0.51 ' CZ ' HD22 ' W' ' 531' ' ' LEU . 0.5 OUTLIER -124.48 124.17 41.72 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.886 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' W' W ' 548' ' ' ILE . . . . . 0.537 ' HA ' HG22 ' W' ' 555' ' ' THR . 2.9 mp -85.1 146.52 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.553 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -123.76 113.02 18.02 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.813 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' W' W ' 550' ' ' HIS . . . . . 0.413 ' N ' ' CD2' ' W' ' 550' ' ' HIS . 6.9 m170 -77.99 -32.11 51.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.027 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -48.56 -41.75 31.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' W' W ' 552' ' ' SER . . . . . 0.413 ' HB3' ' NE ' ' W' ' 554' ' ' ARG . 0.1 OUTLIER -122.65 1.68 9.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.531 179.787 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' W' W ' 553' ' ' ARG . . . . . 0.489 ' HD3' ' CE2' ' P' ' 232' ' ' TYR . 25.9 mmt85 60.63 60.79 1.85 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.777 0.323 . . . . 0.0 110.941 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' W' W ' 554' ' ' ARG . . . . . 0.413 ' NE ' ' HB3' ' W' ' 552' ' ' SER . 49.9 mtm180 -146.89 -167.04 2.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.723 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' W' W ' 555' ' ' THR . . . . . 0.537 HG22 ' HA ' ' W' ' 548' ' ' ILE . 63.6 p -146.05 178.74 7.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.829 0.347 . . . . 0.0 110.931 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' W' W ' 556' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' W' ' 546' ' ' PHE . 0.0 OUTLIER -171.75 164.13 6.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.318 179.846 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' W' W ' 557' ' ' TRP . . . . . 0.5 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 20.6 m95 -87.89 16.53 5.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.539 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' W' W ' 558' ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' W' ' 564' ' ' ARG . 5.0 mm -128.58 142.4 44.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.057 0.456 . . . . 0.0 111.686 -178.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' W' W ' 559' ' ' ASP . . . . . 0.448 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 1.3 m-20 -98.84 110.68 58.33 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.97 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' W' W ' 560' ' ' PRO . . . . . 0.517 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 3.3 Cg_endo -49.32 -34.33 31.62 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.88 1.72 . . . . 0.0 111.263 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' W' W ' 561' ' ' ARG . . . . . 0.406 ' CZ ' ' HB2' ' W' ' 529' ' ' GLU . 0.0 OUTLIER -53.7 -28.37 33.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.587 179.503 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -130.07 -68.12 0.72 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.045 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 119.5 39.28 0.68 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.424 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' W' W ' 564' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' W' ' 558' ' ' ILE . 0.0 OUTLIER -138.56 175.45 9.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.611 0.243 . . . . 0.0 110.903 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -65.93 67.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.57 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.437 . . . . 99.99 111.326 179.647 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' P' P ' 227' ' ' THR . . . . . 0.43 ' O ' HG23 ' P' ' 227' ' ' THR . 10.1 t . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.74 0.305 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 228' ' ' GLY . . . . . 0.417 ' O ' ' HD3' ' P' ' 230' ' ' PRO . . . -120.68 73.46 0.34 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.53 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 229' ' ' LEU . . . . . 0.487 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 0.5 OUTLIER -109.51 81.26 1.77 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.617 0.246 . . . . 0.0 111.351 -179.891 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' P' P ' 230' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' P' ' 228' ' ' GLY . 79.7 Cg_exo -43.43 100.48 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.419 2.079 . . . . 0.0 111.749 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.5 157.55 1.04 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.268 -179.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 232' ' ' TYR . . . . . 0.524 ' HB2' HG23 ' W' ' 555' ' ' THR . 1.0 OUTLIER -68.27 73.35 0.21 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.625 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -171.52 -40.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.563 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -109.13 16.38 22.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.293 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -109.57 -40.95 4.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.733 0.301 . . . . 0.0 111.147 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.19 110.68 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.841 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 99.99 110.93 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' W' W ' 521' ' ' GLY . . . . . 0.472 ' N ' ' CD ' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.449 0 N-CA-C 110.112 -1.195 . . . . 99.99 110.112 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' W' W ' 522' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' W' ' 521' ' ' GLY . 74.1 Cg_exo -51.25 157.98 3.98 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.606 2.204 . . . . 0.0 112.308 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 3.5 mt -56.43 91.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -156.73 -89.85 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.543 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 41.9 t -163.71 94.11 0.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.874 0.369 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -157.91 -62.99 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.556 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.74 -76.69 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.342 . . . . 0.0 111.003 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 69.34 -171.47 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.803 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' W' W ' 529' ' ' GLU . . . . . 0.434 ' CB ' ' HD2' ' W' ' 561' ' ' ARG . 0.6 OUTLIER -65.53 148.98 97.77 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.883 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -88.47 31.73 0.41 Allowed 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 122.92 2.413 . . . . 0.0 112.789 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' W' W ' 531' ' ' LEU . . . . . 0.759 HD21 ' HG3' ' W' ' 537' ' ' MET . 10.0 mt 57.35 107.81 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.564 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' W' W ' 532' ' ' PRO . . . . . 0.504 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 23.3 Cg_exo -41.45 170.94 0.01 OUTLIER 'Trans proline' 0 CA--C 1.534 0.486 0 C-N-CA 123.269 2.646 . . . . 0.0 113.307 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' W' W ' 533' ' ' PRO . . . . . 0.504 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 35.9 Cg_exo -31.52 -62.61 0.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 123.871 3.047 . . . . 0.0 115.03 -178.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' W' W ' 534' ' ' ARG . . . . . 0.476 ' O ' ' CG ' ' W' ' 535' ' ' TRP . 10.1 mmm180 -116.82 70.73 0.78 Allowed 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.343 -178.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' W' W ' 535' ' ' TRP . . . . . 0.532 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 96.3 m95 -159.81 153.7 23.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.818 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' W' W ' 536' ' ' SER . . . . . 0.74 ' HA ' HD13 ' W' ' 531' ' ' LEU . 3.5 m -154.84 -174.35 4.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.829 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' W' W ' 537' ' ' MET . . . . . 0.759 ' HG3' HD21 ' W' ' 531' ' ' LEU . 3.9 mtm -124.26 150.18 45.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.74 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' W' W ' 538' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -168.09 141.62 3.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.076 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' W' W ' 539' ' ' VAL . . . . . . . . . . . . . 12.9 p -87.52 136.98 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.82 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' W' W ' 540' ' ' ALA . . . . . 0.795 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -109.02 157.09 37.92 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.241 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -62.0 -30.43 83.15 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.64 2.227 . . . . 0.0 111.879 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -48.99 -34.23 12.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.906 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 124.8 -3.92 8.57 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.654 -0.784 . . . . 0.0 113.2 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' W' W ' 544' ' ' ARG . . . . . 0.525 ' HG3' ' CE3' ' W' ' 557' ' ' TRP . 2.4 ptt180 -130.84 152.21 50.43 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 117.036 0.418 . . . . 0.0 111.153 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' W' W ' 545' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.64 146.88 32.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.048 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' W' W ' 546' ' ' PHE . . . . . 0.795 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 23.0 p90 -128.96 168.7 15.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' W' W ' 547' ' ' PHE . . . . . 0.517 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.9 OUTLIER -102.62 150.71 23.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.377 179.176 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' W' W ' 548' ' ' ILE . . . . . 0.464 ' CG2' ' CD2' ' P' ' 232' ' ' TYR . 4.7 mt -107.41 109.42 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.32 -0.4 . . . . 0.0 112.016 -179.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' W' W ' 549' ' ' ASP . . . . . 0.472 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 17.1 t70 -83.18 105.8 14.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.89 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' W' W ' 550' ' ' HIS . . . . . 0.409 ' HB2' ' HB3' ' W' ' 534' ' ' ARG . 22.4 m-70 -75.03 -26.05 59.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.794 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -53.34 -34.01 55.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' W' W ' 552' ' ' SER . . . . . 0.4 ' O ' ' HG3' ' W' ' 554' ' ' ARG . 0.2 OUTLIER -136.91 18.53 3.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.279 -179.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? 49.15 49.32 19.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.849 0.357 . . . . 0.0 111.034 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' W' W ' 554' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' W' ' 552' ' ' SER . 6.1 mtp180 -126.58 -176.72 3.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' W' W ' 555' ' ' THR . . . . . 0.52 HG21 ' CE2' ' W' ' 546' ' ' PHE . 20.0 p -135.57 170.69 15.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.1 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' W' W ' 556' ' ' THR . . . . . 0.513 ' N ' HD11 ' P' ' 229' ' ' LEU . 0.2 OUTLIER -165.94 157.99 14.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.368 . . . . 0.0 111.256 -179.839 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' W' W ' 557' ' ' TRP . . . . . 0.525 ' CE3' ' HG3' ' W' ' 544' ' ' ARG . 16.8 m95 -84.31 11.86 7.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.072 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' W' W ' 558' ' ' ILE . . . . . 0.406 HG22 ' N ' ' W' ' 559' ' ' ASP . 4.9 mm -132.1 156.29 42.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.891 0.377 . . . . 0.0 111.673 -179.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' W' W ' 559' ' ' ASP . . . . . 0.499 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 2.5 p30 -114.66 134.05 22.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.178 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' W' W ' 560' ' ' PRO . . . . . 0.532 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 45.2 Cg_endo -72.38 -3.05 12.67 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.446 2.097 . . . . 0.0 112.702 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' W' W ' 561' ' ' ARG . . . . . 0.434 ' HD2' ' CB ' ' W' ' 529' ' ' GLU . 7.1 mtm180 -80.85 -34.75 33.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.016 0.436 . . . . 0.0 110.239 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -129.03 -43.42 1.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.572 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 101.3 23.13 9.84 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.306 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -124.89 171.5 10.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 110.834 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -56.77 98.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.031 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 99.99 110.912 179.884 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 20.7 p . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.825 0.345 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . 96.76 23.27 16.04 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.513 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 229' ' ' LEU . . . . . 0.513 HD11 ' N ' ' W' ' 556' ' ' THR . 6.4 tp -96.12 110.43 52.08 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.463 0.173 . . . . 0.0 110.948 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.68 -150.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.442 2.095 . . . . 0.0 111.575 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 5.5 t -168.69 52.16 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.412 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 232' ' ' TYR . . . . . 0.464 ' CD2' ' CG2' ' W' ' 548' ' ' ILE . 0.9 OUTLIER 68.38 -64.83 0.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.063 179.326 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -63.19 -34.49 77.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -95.58 31.97 1.91 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.75 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -174.77 87.83 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.978 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.53 41.19 0.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 99.99 110.875 -179.965 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' W' W ' 521' ' ' GLY . . . . . 0.601 ' N ' ' HD2' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 110.09 -1.204 . . . . 99.99 110.09 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' W' W ' 522' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 55.7 Cg_endo -70.57 158.43 55.92 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.588 2.192 . . . . 0.0 112.383 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.77 -31.03 72.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . 102.25 -25.74 26.67 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.596 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 69.83 25.67 4.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 0.0 110.869 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -120.28 -89.69 1.15 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.66 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -159.33 -43.17 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.332 . . . . 0.0 111.083 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 70.56 -73.35 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.072 0.463 . . . . 0.0 110.923 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' W' W ' 529' ' ' GLU . . . . . 0.426 ' CG ' ' HB3' ' W' ' 561' ' ' ARG . 15.7 tp10 -178.43 132.78 0.3 Allowed Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.884 179.857 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -84.08 136.97 7.12 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.73 2.286 . . . . 0.0 112.492 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' W' W ' 531' ' ' LEU . . . . . 0.953 HD13 ' HA ' ' W' ' 536' ' ' SER . 2.1 mt -54.15 135.33 59.24 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.631 179.903 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' W' W ' 532' ' ' PRO . . . . . 0.471 ' HG2' ' HG2' ' W' ' 560' ' ' PRO . 70.9 Cg_exo -50.35 -178.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.668 2.246 . . . . 0.0 113.359 -179.479 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' W' W ' 533' ' ' PRO . . . . . 0.448 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 37.7 Cg_exo -54.41 -29.38 58.52 Favored 'Trans proline' 0 CA--C 1.516 -0.383 0 C-N-CA 123.446 2.764 . . . . 0.0 114.961 -178.498 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' W' W ' 534' ' ' ARG . . . . . 0.41 ' HB3' ' N ' ' W' ' 551' ' ' ALA . 13.9 mmm-85 -132.3 53.32 2.01 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -178.104 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' W' W ' 535' ' ' TRP . . . . . 0.566 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 58.2 m95 -144.72 161.35 39.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.253 0.549 . . . . 0.0 112.399 179.681 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' W' W ' 536' ' ' SER . . . . . 0.953 ' HA ' HD13 ' W' ' 531' ' ' LEU . 1.2 m -150.74 -171.37 3.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.23 -179.85 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' W' W ' 537' ' ' MET . . . . . 0.765 ' CG ' HD21 ' W' ' 531' ' ' LEU . 45.6 mtm -134.76 148.32 50.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.748 179.846 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' W' W ' 538' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -164.19 151.59 12.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.011 -179.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' W' W ' 539' ' ' VAL . . . . . 0.864 HG22 ' CG2' ' W' ' 545' ' ' THR . 8.0 t -99.02 132.06 45.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.761 179.749 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' W' W ' 540' ' ' ALA . . . . . 0.804 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -105.21 165.25 13.51 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.16 -179.654 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' W' W ' 541' ' ' PRO . . . . . 0.715 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 39.0 Cg_endo -66.11 -24.34 52.07 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.555 2.17 . . . . 0.0 111.687 179.667 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' W' W ' 542' ' ' ASN . . . . . 0.454 ' ND2' ' NE ' ' W' ' 544' ' ' ARG . 53.9 t30 -51.73 -25.72 7.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.726 179.698 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 114.4 -7.48 22.73 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 113.012 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' W' W ' 544' ' ' ARG . . . . . 0.524 ' HG3' ' CE3' ' W' ' 557' ' ' TRP . 9.0 ptp180 -131.04 158.44 40.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.999 0.399 . . . . 0.0 111.201 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' W' W ' 545' ' ' THR . . . . . 0.864 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.7 OUTLIER -84.86 146.73 27.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.827 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' W' W ' 546' ' ' PHE . . . . . 0.804 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 3.8 p90 -119.5 173.57 6.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.304 -179.907 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' W' W ' 547' ' ' PHE . . . . . 0.812 ' CE2' HD23 ' W' ' 531' ' ' LEU . 2.2 m-85 -112.87 123.53 50.52 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 121.294 0.569 . . . . 0.0 111.321 -179.886 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' W' W ' 548' ' ' ILE . . . . . 0.463 ' CG2' ' CD2' ' P' ' 232' ' ' TYR . 4.5 mt -83.42 146.63 6.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.217 -0.902 . . . . 0.0 110.83 179.724 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -123.85 100.86 6.97 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.787 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' W' W ' 550' ' ' HIS . . . . . 0.462 ' HA ' ' CE2' ' P' ' 232' ' ' TYR . 21.4 m-70 -69.9 -24.57 63.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.05 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' W' W ' 551' ' ' ALA . . . . . 0.41 ' N ' ' HB3' ' W' ' 534' ' ' ARG . . . -63.36 -60.55 3.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.071 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.38 -1.38 41.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.646 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? 61.54 53.74 3.25 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.82 0.343 . . . . 0.0 110.81 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -137.9 179.14 6.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.027 -179.861 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' W' W ' 555' ' ' THR . . . . . . . . . . . . . 55.1 p -135.48 164.49 27.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.734 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' W' W ' 556' ' ' THR . . . . . 0.598 ' CA ' HD11 ' P' ' 229' ' ' LEU . 2.8 t -161.06 165.47 29.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.967 0.413 . . . . 0.0 111.408 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' W' W ' 557' ' ' TRP . . . . . 0.633 ' HH2' ' HB3' ' W' ' 540' ' ' ALA . 12.1 m95 -91.84 8.26 38.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.814 -179.86 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.4 mm -131.35 146.94 32.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.852 0.358 . . . . 0.0 111.095 -179.59 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' W' W ' 559' ' ' ASP . . . . . 0.506 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 2.7 p30 -90.34 140.03 26.97 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.231 -179.635 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' W' W ' 560' ' ' PRO . . . . . 0.566 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 45.4 Cg_endo -85.66 7.08 5.25 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.768 2.312 . . . . 0.0 112.594 179.484 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' W' W ' 561' ' ' ARG . . . . . 0.426 ' HB3' ' CG ' ' W' ' 529' ' ' GLU . 6.5 mtm180 -83.5 -44.6 14.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.978 0.418 . . . . 0.0 110.446 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' W' W ' 562' ' ' ASN . . . . . 0.424 ' ND2' ' OD1' ' W' ' 559' ' ' ASP . 0.3 OUTLIER -141.32 19.44 2.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.193 179.681 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 54.07 49.52 58.93 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.763 179.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.53 154.19 47.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.766 0.317 . . . . 0.0 110.831 179.841 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -74.76 137.3 41.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.12 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 99.99 110.914 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 36.5 p . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.863 0.363 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' P' P ' 228' ' ' GLY . . . . . 0.403 ' O ' ' HD3' ' P' ' 230' ' ' PRO . . . -137.35 21.73 3.26 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.54 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' P' P ' 229' ' ' LEU . . . . . 0.598 HD11 ' CA ' ' W' ' 556' ' ' THR . 0.4 OUTLIER -98.87 106.27 36.51 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.501 0.191 . . . . 0.0 110.801 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' P' P ' 230' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' P' ' 228' ' ' GLY . 35.6 Cg_exo -58.69 -149.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.595 2.197 . . . . 0.0 112.071 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 2.1 m -151.41 166.88 29.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.903 0.383 . . . . 0.0 111.266 -179.775 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' P' P ' 232' ' ' TYR . . . . . 0.463 ' CD2' ' CG2' ' W' ' 548' ' ' ILE . 2.6 t80 -65.71 88.39 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 171.96 -51.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.859 179.798 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -104.83 38.85 1.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -157.1 29.44 0.3 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.071 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 3.0 mp -94.89 -29.71 14.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.808 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 99.99 110.921 179.978 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' W' W ' 521' ' ' GLY . . . . . 0.689 ' N ' ' HD2' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.492 0 N-CA-C 110.093 -1.203 . . . . 99.99 110.093 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' W' W ' 522' ' ' PRO . . . . . 0.689 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 29.5 Cg_endo -62.66 -46.52 11.2 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.691 2.26 . . . . 0.0 112.158 179.89 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -157.09 85.54 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.787 179.901 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . 88.2 -122.3 6.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.521 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.37 149.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.772 0.32 . . . . 0.0 110.933 -179.915 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . 103.91 -120.02 6.53 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.494 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -176.6 -66.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.346 . . . . 0.0 110.837 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.08 87.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.957 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' W' W ' 529' ' ' GLU . . . . . 0.421 ' HB3' ' HD3' ' W' ' 561' ' ' ARG . 3.4 tp10 -78.43 138.74 59.28 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.695 179.793 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -51.53 173.24 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.503 2.135 . . . . 0.0 112.348 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' W' W ' 531' ' ' LEU . . . . . 0.9 HD13 ' HA ' ' W' ' 536' ' ' SER . 4.3 mt -93.61 138.32 22.95 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.548 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' W' W ' 532' ' ' PRO . . . . . 0.471 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 71.1 Cg_exo -50.55 -174.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.659 2.239 . . . . 0.0 113.376 -179.176 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' W' W ' 533' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 16.7 Cg_exo -71.74 -5.18 16.53 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.552 2.835 . . . . 0.0 115.14 -177.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' W' W ' 534' ' ' ARG . . . . . 0.443 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 8.1 mmt85 -146.43 38.6 1.05 Allowed 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.201 -0.599 . . . . 0.0 111.664 -179.03 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' W' W ' 535' ' ' TRP . . . . . 0.539 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 33.7 m95 -140.07 169.02 18.46 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -179.657 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' W' W ' 536' ' ' SER . . . . . 0.9 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.1 OUTLIER -149.15 -159.02 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.336 -179.909 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' W' W ' 537' ' ' MET . . . . . 0.633 ' HG3' HD21 ' W' ' 531' ' ' LEU . 28.0 mtm -142.88 145.74 33.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.836 0.351 . . . . 0.0 110.997 179.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' W' W ' 538' ' ' GLN . . . . . 0.48 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 4.3 tp-100 -168.97 132.57 1.38 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.748 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' W' W ' 539' ' ' VAL . . . . . 0.837 HG22 ' CG2' ' W' ' 545' ' ' THR . 13.6 t -83.68 128.43 38.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.924 0.392 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' W' W ' 540' ' ' ALA . . . . . 0.554 ' HB2' ' CD1' ' W' ' 546' ' ' PHE . . . -91.39 150.66 41.7 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.132 -179.794 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.01 -23.56 73.51 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.494 2.129 . . . . 0.0 111.753 179.571 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -52.99 -32.14 44.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.7 179.648 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 124.07 -4.81 9.0 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.791 -0.719 . . . . 0.0 113.163 179.813 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' W' W ' 544' ' ' ARG . . . . . 0.514 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.3 OUTLIER -131.24 153.07 49.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 117.008 0.404 . . . . 0.0 111.252 -179.846 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' W' W ' 545' ' ' THR . . . . . 0.837 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.4 OUTLIER -82.46 146.31 29.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.491 179.365 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' W' W ' 546' ' ' PHE . . . . . 0.554 ' CD1' ' HB2' ' W' ' 540' ' ' ALA . 8.0 p90 -121.03 -177.74 3.57 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.026 0.441 . . . . 0.0 111.112 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' W' W ' 547' ' ' PHE . . . . . 0.534 ' CE2' HD22 ' W' ' 531' ' ' LEU . 0.8 OUTLIER -125.43 124.93 42.51 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.697 179.885 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' W' W ' 548' ' ' ILE . . . . . 0.616 HG13 HG22 ' W' ' 555' ' ' THR . 2.6 mp -86.28 149.53 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.474 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -127.51 118.72 24.53 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.98 -179.544 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' W' W ' 550' ' ' HIS . . . . . 0.432 ' N ' ' CD2' ' W' ' 550' ' ' HIS . 6.5 m170 -82.99 -29.62 28.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -48.8 -41.02 31.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.93 179.814 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.47 2.92 7.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.398 179.633 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 59.63 68.59 0.78 Allowed 'General case' 0 N--CA 1.456 -0.138 0 CA-C-O 120.741 0.305 . . . . 0.0 110.985 -179.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -154.03 -168.88 3.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.882 0.372 . . . . 0.0 111.306 -179.837 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' W' W ' 555' ' ' THR . . . . . 0.616 HG22 HG13 ' W' ' 548' ' ' ILE . 70.9 p -143.17 169.27 17.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.101 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' W' W ' 556' ' ' THR . . . . . 0.87 ' CA ' HD11 ' P' ' 229' ' ' LEU . 1.3 t -164.05 165.11 22.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.031 0.443 . . . . 0.0 111.397 179.846 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' W' W ' 557' ' ' TRP . . . . . 0.514 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 14.4 m95 -87.93 14.7 8.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.658 179.931 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' W' W ' 558' ' ' ILE . . . . . 0.43 ' CG2' ' HA2' ' W' ' 563' ' ' GLY . 5.3 mm -126.56 149.54 31.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.034 0.445 . . . . 0.0 112.077 -178.544 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' W' W ' 559' ' ' ASP . . . . . 0.425 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 2.1 m-20 -103.89 114.94 64.14 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.966 -179.725 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' W' W ' 560' ' ' PRO . . . . . 0.539 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 6.1 Cg_endo -52.06 -26.43 25.66 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.199 1.932 . . . . 0.0 111.902 179.859 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' W' W ' 561' ' ' ARG . . . . . 0.421 ' HD3' ' HB3' ' W' ' 529' ' ' GLU . 0.6 OUTLIER -63.98 -30.69 71.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.739 179.861 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -127.06 -68.57 0.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 179.771 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' W' W ' 563' ' ' GLY . . . . . 0.43 ' HA2' ' CG2' ' W' ' 558' ' ' ILE . . . 120.19 36.74 0.79 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -135.26 172.51 12.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.963 0.411 . . . . 0.0 111.088 -179.897 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' W' W ' 565' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' W' ' 557' ' ' TRP . . . -63.61 126.67 28.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.406 -179.777 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' W' W ' 566' ' ' SER . . . . . 0.4 ' HB2' ' OD1' ' W' ' 559' ' ' ASP . 2.0 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 99.99 110.851 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.8 0.333 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . 136.43 -143.72 15.22 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.678 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' P' P ' 229' ' ' LEU . . . . . 0.87 HD11 ' CA ' ' W' ' 556' ' ' THR . 9.4 tp 67.29 66.61 0.63 Allowed Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 120.633 0.254 . . . . 0.0 111.043 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' P' P ' 230' ' ' PRO . . . . . 0.456 ' HB2' ' CB ' ' P' ' 235' ' ' ALA . 52.3 Cg_exo -51.99 125.81 18.32 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.352 2.035 . . . . 0.0 111.636 179.583 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.6 149.2 35.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.096 0.474 . . . . 0.0 111.158 -179.609 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' P' P ' 232' ' ' TYR . . . . . 0.566 ' CG ' HG23 ' W' ' 548' ' ' ILE . 1.1 t80 -69.79 77.28 0.46 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -175.69 -38.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.944 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -117.54 23.15 11.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.07 -179.897 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' P' P ' 235' ' ' ALA . . . . . 0.456 ' CB ' ' HB2' ' P' ' 230' ' ' PRO . . . -144.84 51.95 1.23 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.913 0.387 . . . . 0.0 111.117 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -157.24 105.11 2.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.804 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 15.4 m170 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 99.99 110.948 -179.992 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' W' W ' 521' ' ' GLY . . . . . 0.624 ' N ' ' HD2' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.473 0 N-CA-C 110.114 -1.194 . . . . 99.99 110.114 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' W' W ' 522' ' ' PRO . . . . . 0.624 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 55.8 Cg_endo -70.4 102.02 1.08 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.602 2.201 . . . . 0.0 112.282 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 53.35 54.16 10.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.916 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . 154.74 138.28 2.57 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.565 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 4.2 m -127.68 46.38 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.779 0.323 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -149.44 -162.53 10.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.507 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.38 -45.8 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -129.78 79.88 1.93 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' W' W ' 529' ' ' GLU . . . . . 0.422 ' HB3' ' HB2' ' W' ' 561' ' ' ARG . 42.4 tp10 -67.52 124.33 88.92 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.689 179.898 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.17 67.38 2.6 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.519 2.146 . . . . 0.0 112.493 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' W' W ' 531' ' ' LEU . . . . . 0.717 HD13 ' HA ' ' W' ' 536' ' ' SER . 3.0 mt 62.14 125.95 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.565 179.867 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' W' W ' 532' ' ' PRO . . . . . 0.471 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 72.0 Cg_exo -50.18 -174.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.574 2.183 . . . . 0.0 113.296 -179.39 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' W' W ' 533' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 29.4 Cg_exo -64.91 -18.1 61.32 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.359 2.706 . . . . 0.0 115.131 -178.211 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' W' W ' 534' ' ' ARG . . . . . 0.434 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 82.6 mmt-85 -139.21 46.82 1.92 Allowed 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 120.43 -0.508 . . . . 0.0 112.018 -178.391 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' W' W ' 535' ' ' TRP . . . . . 0.544 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 45.0 m95 -142.88 168.54 19.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.171 0.51 . . . . 0.0 112.141 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' W' W ' 536' ' ' SER . . . . . 0.717 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.3 OUTLIER -147.52 -163.01 1.66 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.548 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' W' W ' 537' ' ' MET . . . . . 0.455 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 26.9 mtm -137.84 145.23 42.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.079 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' W' W ' 538' ' ' GLN . . . . . 0.44 ' O ' ' CD1' ' W' ' 546' ' ' PHE . 6.4 tp60 -165.33 128.39 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.747 179.799 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' W' W ' 539' ' ' VAL . . . . . 0.694 HG22 ' CG2' ' W' ' 545' ' ' THR . 42.6 t -80.54 125.03 39.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.845 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' W' W ' 540' ' ' ALA . . . . . 0.834 ' HB2' ' CD1' ' W' ' 546' ' ' PHE . . . -92.44 141.53 24.9 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.15 -179.714 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -56.73 -22.58 45.26 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.552 2.168 . . . . 0.0 111.702 179.678 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' W' W ' 542' ' ' ASN . . . . . 0.435 ' ND2' ' NE ' ' W' ' 544' ' ' ARG . 49.8 t30 -51.79 -42.95 62.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.617 179.628 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 141.48 -13.39 2.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.593 -0.813 . . . . 0.0 113.059 179.744 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' W' W ' 544' ' ' ARG . . . . . 0.506 ' HG2' ' CE3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.15 149.97 52.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.942 0.401 . . . . 0.0 111.506 -179.87 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' W' W ' 545' ' ' THR . . . . . 0.694 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.3 OUTLIER -72.73 146.31 46.52 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.55 179.478 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' W' W ' 546' ' ' PHE . . . . . 0.834 ' CD1' ' HB2' ' W' ' 540' ' ' ALA . 11.7 p90 -121.96 151.29 40.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.905 179.848 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' W' W ' 547' ' ' PHE . . . . . 0.535 ' CZ ' HD22 ' W' ' 531' ' ' LEU . 0.7 OUTLIER -99.78 125.33 45.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.278 0.561 . . . . 0.0 111.489 -179.571 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' W' W ' 548' ' ' ILE . . . . . 0.561 HG23 ' CG ' ' P' ' 232' ' ' TYR . 2.8 mp -84.55 145.3 8.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.663 179.614 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' W' W ' 549' ' ' ASP . . . . . 0.495 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 28.0 t70 -122.95 115.36 21.8 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.072 -179.602 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' W' W ' 550' ' ' HIS . . . . . 0.418 ' N ' ' CD2' ' W' ' 550' ' ' HIS . 6.4 m170 -82.66 -27.69 31.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.736 179.776 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -52.43 -37.24 56.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.564 179.729 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.03 0.45 6.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.449 179.722 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' W' W ' 553' ' ' ARG . . . . . 0.452 ' HA ' ' CD2' ' P' ' 232' ' ' TYR . 3.1 mmt85 61.94 65.16 0.93 Allowed 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.631 0.253 . . . . 0.0 111.079 179.868 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' W' W ' 554' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' P' ' 232' ' ' TYR . 51.0 mtp85 -153.87 -166.98 2.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.817 0.342 . . . . 0.0 111.352 -179.915 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' W' W ' 555' ' ' THR . . . . . 0.472 HG23 ' N ' ' P' ' 232' ' ' TYR . 77.3 p -142.84 177.31 8.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.24 -179.756 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -170.22 164.52 9.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.377 179.889 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' W' W ' 557' ' ' TRP . . . . . 0.506 ' CE3' ' HG2' ' W' ' 544' ' ' ARG . 22.0 m95 -89.62 18.75 5.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.464 179.803 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' W' W ' 558' ' ' ILE . . . . . 0.401 HG23 ' N ' ' W' ' 564' ' ' ARG . 5.7 mm -132.79 152.12 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.12 0.486 . . . . 0.0 112.104 -179.002 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' W' W ' 559' ' ' ASP . . . . . 0.471 ' OD2' ' CE1' ' W' ' 547' ' ' PHE . 0.5 OUTLIER -100.68 110.3 60.14 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.468 179.845 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' W' W ' 560' ' ' PRO . . . . . 0.544 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 2.4 Cg_endo -51.63 -29.86 34.37 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.089 1.859 . . . . 0.0 112.418 -179.415 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' W' W ' 561' ' ' ARG . . . . . 0.422 ' HB2' ' HB3' ' W' ' 529' ' ' GLU . 0.4 OUTLIER -68.12 -18.89 64.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.109 179.813 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -130.34 -66.13 0.78 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.843 0.354 . . . . 0.0 110.811 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' W' W ' 563' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' W' ' 559' ' ' ASP . . . 114.26 34.5 1.61 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.375 -179.84 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' W' W ' 564' ' ' ARG . . . . . 0.401 ' N ' HG23 ' W' ' 558' ' ' ILE . 0.4 OUTLIER -133.84 166.38 22.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.958 0.409 . . . . 0.0 111.07 -179.784 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' W' W ' 565' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' W' ' 557' ' ' TRP . . . -53.58 105.13 0.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.959 179.861 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 41.7 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 99.99 110.897 -179.936 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.859 0.362 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . 95.98 28.7 9.11 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.695 179.847 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' P' P ' 229' ' ' LEU . . . . . 0.49 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 1.8 tp -90.81 108.85 30.63 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.461 0.172 . . . . 0.0 110.679 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -68.59 102.67 0.87 Allowed 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.587 2.191 . . . . 0.0 111.972 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 14.8 m -53.15 161.38 0.87 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' P' P ' 232' ' ' TYR . . . . . 0.642 ' CE1' HD13 ' P' ' 236' ' ' LEU . 1.1 t80 -78.77 78.86 5.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.823 -179.936 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 15.6 t0 176.97 -37.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.082 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -109.34 20.62 18.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.989 179.567 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -141.98 33.62 1.56 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.077 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' P' P ' 236' ' ' LEU . . . . . 0.642 HD13 ' CE1' ' P' ' 232' ' ' TYR . 0.2 OUTLIER -129.25 64.14 1.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.748 179.932 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 99.99 110.866 -179.877 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' W' W ' 521' ' ' GLY . . . . . 0.48 ' N ' ' CD ' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.47 0 N-CA-C 110.082 -1.207 . . . . 99.99 110.082 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' W' W ' 522' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' W' ' 521' ' ' GLY . 45.7 Cg_exo -56.01 -172.58 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.676 2.251 . . . . 0.0 112.213 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' W' W ' 523' ' ' LEU . . . . . 0.483 HD22 ' HA ' ' W' ' 523' ' ' LEU . 0.3 OUTLIER -64.01 -24.67 67.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.954 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . 72.07 147.79 0.69 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.582 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.29 -170.97 3.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.774 0.321 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -93.18 177.02 37.78 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.572 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.06 38.89 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.359 . . . . 0.0 110.916 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.41 159.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 179.897 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' W' W ' 529' ' ' GLU . . . . . 0.448 ' HB3' ' NE ' ' W' ' 561' ' ' ARG . 5.8 tt0 -104.01 129.59 24.94 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.793 179.859 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.05 121.63 10.25 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.527 2.151 . . . . 0.0 112.52 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' W' W ' 531' ' ' LEU . . . . . 0.847 HD13 ' HA ' ' W' ' 536' ' ' SER . 0.3 OUTLIER -59.76 142.84 87.81 Favored Pre-proline 0 C--N 1.33 -0.241 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.303 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' W' W ' 532' ' ' PRO . . . . . 0.48 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 75.8 Cg_exo -49.85 -173.25 0.0 OUTLIER 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.558 2.172 . . . . 0.0 113.286 -179.155 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' W' W ' 533' ' ' PRO . . . . . 0.48 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 27.0 Cg_exo -64.29 -18.88 64.83 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.172 2.581 . . . . 0.0 115.251 -178.029 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' W' W ' 534' ' ' ARG . . . . . 0.433 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 26.0 mmt180 -140.29 51.44 1.68 Allowed 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 120.401 -0.52 . . . . 0.0 111.534 -178.75 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' W' W ' 535' ' ' TRP . . . . . 0.522 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 54.6 m95 -145.37 168.52 20.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.42 0.628 . . . . 0.0 112.49 -179.873 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' W' W ' 536' ' ' SER . . . . . 0.847 ' HA ' HD13 ' W' ' 531' ' ' LEU . 2.0 m -153.24 -171.81 4.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.795 179.746 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' W' W ' 537' ' ' MET . . . . . 0.672 ' HG3' HD21 ' W' ' 531' ' ' LEU . 0.0 OUTLIER -150.09 141.48 23.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.097 0.475 . . . . 0.0 111.617 -179.935 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' W' W ' 538' ' ' GLN . . . . . 0.471 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 0.3 OUTLIER -168.08 141.45 3.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.34 179.816 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' W' W ' 539' ' ' VAL . . . . . 0.847 HG22 ' CG2' ' W' ' 545' ' ' THR . 20.7 t -72.37 131.45 34.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.369 . . . . 0.0 111.125 -179.738 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' W' W ' 540' ' ' ALA . . . . . 0.757 ' HB2' ' CD1' ' W' ' 546' ' ' PHE . . . -90.74 166.52 18.92 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.137 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' W' W ' 541' ' ' PRO . . . . . 0.716 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 57.5 Cg_endo -71.03 -23.17 25.35 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.5 2.133 . . . . 0.0 112.047 179.837 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' W' W ' 542' ' ' ASN . . . . . 0.427 ' ND2' ' HD3' ' W' ' 544' ' ' ARG . 25.9 t30 -55.4 -41.23 72.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.863 179.899 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 138.51 -14.19 3.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.533 -0.842 . . . . 0.0 112.993 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' W' W ' 544' ' ' ARG . . . . . 0.534 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -126.38 157.97 37.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.965 0.412 . . . . 0.0 111.384 -179.87 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' W' W ' 545' ' ' THR . . . . . 0.847 ' CG2' HG22 ' W' ' 539' ' ' VAL . 1.0 OUTLIER -80.51 146.87 31.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.309 -179.828 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' W' W ' 546' ' ' PHE . . . . . 0.757 ' CD1' ' HB2' ' W' ' 540' ' ' ALA . 11.0 p90 -124.35 -174.58 3.04 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.232 -179.865 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' W' W ' 547' ' ' PHE . . . . . 0.814 ' CE2' HD23 ' W' ' 531' ' ' LEU . 1.1 m-85 -123.67 119.43 29.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.9 179.353 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' W' W ' 548' ' ' ILE . . . . . 0.438 ' CG2' ' CD2' ' P' ' 232' ' ' TYR . 2.4 mp -80.62 125.97 39.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.214 0.53 . . . . 0.0 111.302 -179.169 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' W' W ' 549' ' ' ASP . . . . . 0.471 ' OD2' ' CH2' ' W' ' 535' ' ' TRP . 0.2 OUTLIER -93.24 125.52 37.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.334 179.77 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' W' W ' 550' ' ' HIS . . . . . 0.467 ' CE1' ' OH ' ' P' ' 232' ' ' TYR . 21.2 m-70 -95.69 -34.79 11.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 111.292 -179.587 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -50.07 -39.34 41.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.181 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.99 3.23 7.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.744 179.896 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 34.1 mtt180 61.13 72.51 0.52 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.914 0.388 . . . . 0.0 110.871 179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 45.7 mtt-85 -149.34 -164.07 1.94 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' W' W ' 555' ' ' THR . . . . . 0.834 ' O ' HD11 ' P' ' 229' ' ' LEU . 46.5 p -150.9 140.23 21.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.456 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' W' W ' 556' ' ' THR . . . . . 0.516 ' HA ' HD11 ' P' ' 229' ' ' LEU . 15.4 t -133.6 162.79 30.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.983 179.488 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' W' W ' 557' ' ' TRP . . . . . 0.534 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 13.0 m95 -85.51 -39.85 17.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.871 -179.256 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 4.2 mm -86.75 124.81 40.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.558 -178.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' W' W ' 559' ' ' ASP . . . . . 0.429 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 0.7 OUTLIER -68.02 144.63 97.22 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.171 -179.663 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' W' W ' 560' ' ' PRO . . . . . 0.522 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 36.8 Cg_endo -85.08 -22.71 2.68 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.67 2.247 . . . . 0.0 112.403 179.777 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' W' W ' 561' ' ' ARG . . . . . 0.448 ' NE ' ' HB3' ' W' ' 529' ' ' GLU . 0.5 OUTLIER -54.39 -28.84 46.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.963 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -144.78 -43.54 0.24 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.849 -179.871 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 114.17 35.3 1.5 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.512 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -124.22 144.78 49.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.788 0.328 . . . . 0.0 110.856 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -59.22 118.27 5.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.273 -179.872 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' W' W ' 566' ' ' SER . . . . . 0.404 ' HB3' ' O ' ' W' ' 545' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 99.99 110.903 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 4.7 t . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.781 0.324 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . -149.48 -85.27 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.605 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' P' P ' 229' ' ' LEU . . . . . 0.834 HD11 ' O ' ' W' ' 555' ' ' THR . 0.2 OUTLIER 53.84 96.69 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 120.612 0.244 . . . . 0.0 110.739 -179.862 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' P' P ' 230' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.07 -146.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.492 2.128 . . . . 0.0 111.391 179.437 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 4.9 t -157.99 51.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 0.0 110.861 179.71 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' P' P ' 232' ' ' TYR . . . . . 0.819 ' CE1' HD13 ' P' ' 236' ' ' LEU . 0.3 OUTLIER 55.51 62.02 2.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.596 179.913 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.42 -42.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -104.22 52.98 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -170.96 -50.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' P' P ' 236' ' ' LEU . . . . . 0.819 HD13 ' CE1' ' P' ' 232' ' ' TYR . 0.1 OUTLIER -65.92 97.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.853 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 99.99 110.911 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' W' W ' 521' ' ' GLY . . . . . 0.676 ' N ' ' HD2' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.476 0 N-CA-C 110.086 -1.205 . . . . 99.99 110.086 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' W' W ' 522' ' ' PRO . . . . . 0.676 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 28.3 Cg_endo -62.73 -20.11 70.14 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.65 2.233 . . . . 0.0 112.332 179.907 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 2.9 mt -95.15 29.12 2.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.905 0.383 . . . . 0.0 110.956 -179.849 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . 66.54 73.91 0.59 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.44 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 8.5 t -111.44 -173.9 2.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.89 0.376 . . . . 0.0 110.809 -179.896 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -129.52 -93.79 0.71 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.495 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -131.64 84.83 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.357 . . . . 0.0 110.816 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -164.6 101.69 0.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.978 -179.912 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' W' W ' 529' ' ' GLU . . . . . 0.429 ' O ' ' CZ ' ' W' ' 561' ' ' ARG . 0.9 OUTLIER -55.16 113.17 5.03 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.86 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -50.01 127.09 18.48 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.486 2.124 . . . . 0.0 112.89 -179.757 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' W' W ' 531' ' ' LEU . . . . . 0.851 HD23 ' CE2' ' W' ' 547' ' ' PHE . 0.6 OUTLIER -49.83 137.28 19.11 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.456 179.493 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' W' W ' 532' ' ' PRO . . . . . 0.467 ' HB3' ' HD2' ' W' ' 533' ' ' PRO . 80.2 Cg_exo -48.17 179.39 0.01 OUTLIER 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.65 2.233 . . . . 0.0 113.031 -179.41 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' W' W ' 533' ' ' PRO . . . . . 0.467 ' HD2' ' HB3' ' W' ' 532' ' ' PRO . 59.4 Cg_exo -43.09 -52.43 4.82 Favored 'Trans proline' 0 CA--C 1.515 -0.43 0 C-N-CA 123.515 2.81 . . . . 0.0 115.177 -178.665 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' W' W ' 534' ' ' ARG . . . . . 0.473 ' O ' ' CD1' ' W' ' 535' ' ' TRP . 21.0 mmt85 -120.77 68.63 0.87 Allowed 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.73 -178.179 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' W' W ' 535' ' ' TRP . . . . . 0.587 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 79.6 m95 -153.47 156.09 37.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.168 0.508 . . . . 0.0 112.26 179.76 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' W' W ' 536' ' ' SER . . . . . 0.717 ' CA ' HD22 ' W' ' 531' ' ' LEU . 1.5 m -143.82 -172.05 3.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.206 179.678 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' W' W ' 537' ' ' MET . . . . . 0.407 ' CG ' ' CE1' ' W' ' 547' ' ' PHE . 0.1 OUTLIER -145.7 128.53 16.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.979 0.419 . . . . 0.0 111.338 -179.942 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' W' W ' 538' ' ' GLN . . . . . 0.653 ' HB2' HD11 ' W' ' 548' ' ' ILE . 1.3 mt-30 -145.58 144.93 30.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.605 179.677 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' W' W ' 539' ' ' VAL . . . . . 0.957 HG22 ' CG2' ' W' ' 545' ' ' THR . 9.5 t -84.2 129.11 38.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.046 -179.818 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' W' W ' 540' ' ' ALA . . . . . 0.821 ' HB1' ' HD2' ' W' ' 541' ' ' PRO . . . -94.98 169.66 9.11 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' W' W ' 541' ' ' PRO . . . . . 0.821 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 55.6 Cg_endo -69.82 -23.78 30.12 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.475 2.117 . . . . 0.0 112.055 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -53.4 -33.01 52.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.835 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 123.98 -8.61 8.6 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.649 -0.786 . . . . 0.0 113.093 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' W' W ' 544' ' ' ARG . . . . . 0.529 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -128.49 156.67 42.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 117.023 0.411 . . . . 0.0 111.415 -179.874 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' W' W ' 545' ' ' THR . . . . . 0.957 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.6 OUTLIER -85.1 146.91 26.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.222 -179.917 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' W' W ' 546' ' ' PHE . . . . . 0.741 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 3.4 p90 -120.95 -174.85 2.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 179.837 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' W' W ' 547' ' ' PHE . . . . . 0.851 ' CE2' HD23 ' W' ' 531' ' ' LEU . 1.0 OUTLIER -123.11 118.34 27.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.003 0.43 . . . . 0.0 110.353 179.731 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' W' W ' 548' ' ' ILE . . . . . 0.653 HD11 ' HB2' ' W' ' 538' ' ' GLN . 2.7 mp -79.52 137.48 21.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.795 -179.732 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' W' W ' 549' ' ' ASP . . . . . 0.482 ' HB2' ' CH2' ' W' ' 535' ' ' TRP . 55.2 t0 -110.17 105.97 15.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.047 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' W' W ' 550' ' ' HIS . . . . . 0.407 ' HB2' ' HB3' ' W' ' 534' ' ' ARG . 19.4 m-70 -76.41 -21.72 55.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -59.43 -46.02 89.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.89 0.376 . . . . 0.0 111.059 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.6 19.24 6.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.221 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 49.47 64.28 1.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 111.06 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -135.65 -167.5 2.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.669 179.729 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' W' W ' 555' ' ' THR . . . . . 0.803 ' O ' HD21 ' P' ' 229' ' ' LEU . 63.7 p -151.74 155.06 37.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.248 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' W' W ' 556' ' ' THR . . . . . 0.614 ' CA ' HD11 ' P' ' 229' ' ' LEU . 10.6 t -148.91 159.16 44.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.013 0.435 . . . . 0.0 111.184 -179.917 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' W' W ' 557' ' ' TRP . . . . . 0.529 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 22.9 m95 -87.45 -22.06 25.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.214 -179.929 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' W' W ' 558' ' ' ILE . . . . . 0.764 HG23 ' N ' ' W' ' 565' ' ' ALA . 31.5 mt -107.22 125.57 63.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.135 0.493 . . . . 0.0 111.919 -178.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' W' W ' 559' ' ' ASP . . . . . 0.493 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 4.7 p30 -57.3 138.45 80.7 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.053 -179.848 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' W' W ' 560' ' ' PRO . . . . . 0.587 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 81.3 Cg_endo -90.98 19.65 1.09 Allowed 'Trans proline' 0 N--CA 1.455 -0.755 0 C-N-CA 123.012 2.475 . . . . 0.0 111.903 179.321 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' W' W ' 561' ' ' ARG . . . . . 0.429 ' CZ ' ' O ' ' W' ' 529' ' ' GLU . 0.0 OUTLIER -107.07 7.71 29.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.441 -179.604 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -175.41 -49.53 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.719 0.295 . . . . 0.0 110.718 179.774 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 106.78 65.17 0.62 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.618 179.859 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -161.34 73.73 0.45 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.59 0.233 . . . . 0.0 110.636 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' W' W ' 565' ' ' ALA . . . . . 0.764 ' N ' HG23 ' W' ' 558' ' ' ILE . . . 46.85 -155.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.766 -179.821 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 96.7 p . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 120.423 0.154 . . . . 99.99 110.916 179.877 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.808 0.337 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . 150.9 -148.13 18.93 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' P' P ' 229' ' ' LEU . . . . . 0.803 HD21 ' O ' ' W' ' 555' ' ' THR . 4.4 tp 68.32 70.61 0.42 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.695 0.283 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' P' P ' 230' ' ' PRO . . . . . 0.406 ' O ' HG21 ' W' ' 555' ' ' THR . 53.2 Cg_exo -54.94 104.93 0.13 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.543 2.162 . . . . 0.0 112.074 179.88 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 32.8 m -48.51 166.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' P' P ' 232' ' ' TYR . . . . . 0.531 ' CD2' ' CG2' ' W' ' 548' ' ' ILE . 1.3 t80 -61.11 89.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -178.05 -39.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.678 179.926 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -97.19 -34.93 10.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 179.838 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' P' P ' 235' ' ' ALA . . . . . . . . . . . . . . . -80.75 59.37 3.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.99 179.92 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 4.0 mp -129.1 -52.41 1.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.795 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 11.5 p80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 99.99 110.859 179.905 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' W' W ' 521' ' ' GLY . . . . . 0.476 ' N ' ' CD ' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.479 0 N-CA-C 110.106 -1.198 . . . . 99.99 110.106 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' W' W ' 522' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' W' ' 521' ' ' GLY . 52.2 Cg_exo -53.23 -47.95 24.72 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.607 2.204 . . . . 0.0 112.34 -179.886 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 2.4 tt -163.5 120.57 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . 169.96 -63.31 0.18 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.537 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.92 -49.23 5.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . 96.89 -92.7 1.38 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.405 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.72 34.26 3.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.775 0.321 . . . . 0.0 110.83 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -125.26 81.11 1.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' W' W ' 529' ' ' GLU . . . . . 0.4 ' HB3' ' HD3' ' W' ' 561' ' ' ARG . 1.5 tp10 -67.19 145.45 98.69 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.867 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -59.92 139.96 90.6 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.514 2.143 . . . . 0.0 112.45 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' W' W ' 531' ' ' LEU . . . . . 0.446 ' CD1' ' HA ' ' W' ' 536' ' ' SER . 1.3 mt -79.41 135.89 56.85 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.676 179.156 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' W' W ' 532' ' ' PRO . . . . . 0.462 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 56.4 Cg_exo -50.85 -174.81 0.01 OUTLIER 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 122.267 1.978 . . . . 0.0 113.244 -178.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' W' W ' 533' ' ' PRO . . . . . 0.462 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 19.8 Cg_exo -69.73 -10.18 27.95 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.407 2.738 . . . . 0.0 115.168 -177.922 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' W' W ' 534' ' ' ARG . . . . . 0.437 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 22.8 mmt85 -143.57 43.07 1.5 Allowed 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 120.359 -0.536 . . . . 0.0 111.66 -178.883 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' W' W ' 535' ' ' TRP . . . . . 0.531 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 38.3 m95 -141.55 168.01 20.79 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.41 0.624 . . . . 0.0 112.466 -179.934 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' W' W ' 536' ' ' SER . . . . . 0.446 ' HA ' ' CD1' ' W' ' 531' ' ' LEU . 0.1 OUTLIER -147.39 -158.14 0.88 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.429 -179.835 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' W' W ' 537' ' ' MET . . . . . . . . . . . . . 26.8 mtp -144.4 144.69 31.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.755 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' W' W ' 538' ' ' GLN . . . . . 0.471 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 2.2 tp-100 -168.2 129.73 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.979 -179.888 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' W' W ' 539' ' ' VAL . . . . . 0.749 HG22 ' CG2' ' W' ' 545' ' ' THR . 4.7 t -79.48 136.51 23.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.802 179.728 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' W' W ' 540' ' ' ALA . . . . . 0.861 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -107.6 156.75 37.35 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.33 -179.696 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -62.85 -24.45 74.36 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.613 2.208 . . . . 0.0 111.402 179.385 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -47.82 -42.02 25.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.759 179.728 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 134.47 -12.06 4.62 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.668 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' W' W ' 544' ' ' ARG . . . . . 0.506 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -131.24 155.81 46.47 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.91 0.386 . . . . 0.0 111.108 -179.935 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' W' W ' 545' ' ' THR . . . . . 0.749 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.5 OUTLIER -80.47 145.33 31.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.05 179.276 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' W' W ' 546' ' ' PHE . . . . . 0.861 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 7.4 p90 -117.22 -179.56 3.75 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.014 0.435 . . . . 0.0 111.201 -179.666 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' W' W ' 547' ' ' PHE . . . . . 0.505 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.6 OUTLIER -123.89 126.47 46.43 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.169 -179.784 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' W' W ' 548' ' ' ILE . . . . . 0.56 HG23 ' CG ' ' P' ' 232' ' ' TYR . 2.7 mp -86.71 149.25 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.697 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.359 179.663 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -128.64 117.41 21.16 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.013 -179.496 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' W' W ' 550' ' ' HIS . . . . . 0.405 ' CD2' ' N ' ' W' ' 550' ' ' HIS . 7.5 m170 -81.91 -26.07 34.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.788 179.864 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -50.05 -43.12 50.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.734 179.583 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.72 1.19 8.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.306 179.583 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' W' W ' 553' ' ' ARG . . . . . 0.462 ' HA ' ' CD2' ' P' ' 232' ' ' TYR . 59.7 mmt-85 63.11 62.77 0.98 Allowed 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.733 0.301 . . . . 0.0 110.977 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' W' W ' 554' ' ' ARG . . . . . 0.433 ' CZ ' ' HB3' ' W' ' 554' ' ' ARG . 5.4 mtp-105 -149.24 -166.53 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.967 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' W' W ' 555' ' ' THR . . . . . 0.539 HG22 HG13 ' W' ' 548' ' ' ILE . 60.3 p -143.92 179.67 7.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 179.791 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -171.15 166.04 7.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.117 179.861 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' W' W ' 557' ' ' TRP . . . . . 0.506 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 19.1 m95 -89.6 15.37 9.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.452 179.832 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' W' W ' 558' ' ' ILE . . . . . 0.487 HG23 ' N ' ' W' ' 564' ' ' ARG . 5.5 mm -129.05 149.07 33.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.099 0.476 . . . . 0.0 111.754 -179.022 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' W' W ' 559' ' ' ASP . . . . . 0.454 ' HA ' ' HD2' ' W' ' 560' ' ' PRO . 2.2 m-20 -102.94 110.81 64.28 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.104 -179.688 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' W' W ' 560' ' ' PRO . . . . . 0.531 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 1.9 Cg_endo -47.5 -37.33 25.9 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 121.999 1.8 . . . . 0.0 111.184 179.43 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' W' W ' 561' ' ' ARG . . . . . 0.419 ' HG3' ' HB3' ' W' ' 559' ' ' ASP . 0.0 OUTLIER -49.39 -29.83 6.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.833 179.539 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -129.73 -60.14 1.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.934 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' W' W ' 563' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' W' ' 559' ' ' ASP . . . 112.3 36.2 1.66 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.347 -179.865 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' W' W ' 564' ' ' ARG . . . . . 0.487 ' N ' HG23 ' W' ' 558' ' ' ILE . 5.2 mtp85 -137.19 172.79 12.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.996 -179.794 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' W' W ' 565' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' W' ' 557' ' ' TRP . . . -66.66 120.03 12.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.501 -179.686 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' W' W ' 566' ' ' SER . . . . . 0.408 ' HB2' ' OD1' ' W' ' 559' ' ' ASP . 1.5 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.514 . . . . 99.99 110.734 179.762 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 55.2 p . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.643 0.258 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . -139.07 50.58 0.79 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.483 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' P' P ' 229' ' ' LEU . . . . . 0.476 ' HB2' ' CZ2' ' W' ' 557' ' ' TRP . 0.8 OUTLIER -112.01 92.14 17.39 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.716 0.293 . . . . 0.0 111.175 -179.908 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' P' P ' 230' ' ' PRO . . . . . 0.594 ' CB ' ' HB2' ' P' ' 235' ' ' ALA . 52.0 Cg_exo -52.54 103.69 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.583 2.189 . . . . 0.0 111.973 179.667 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 9.7 t -53.33 147.79 9.83 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.159 0.504 . . . . 0.0 111.083 -179.656 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' P' P ' 232' ' ' TYR . . . . . 0.625 ' HE1' HD22 ' P' ' 236' ' ' LEU . 1.1 t80 -60.85 84.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -177.5 -41.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.049 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -102.88 -29.8 11.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.035 -179.916 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' P' P ' 235' ' ' ALA . . . . . 0.594 ' HB2' ' CB ' ' P' ' 230' ' ' PRO . . . -90.59 53.94 2.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.061 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' P' P ' 236' ' ' LEU . . . . . 0.625 HD22 ' HE1' ' P' ' 232' ' ' TYR . 0.1 OUTLIER -152.01 78.92 1.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.831 -179.956 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 1.5 p80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 99.99 110.931 -179.993 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' W' W ' 521' ' ' GLY . . . . . 0.481 ' N ' ' CD ' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 110.096 -1.202 . . . . 99.99 110.096 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' W' W ' 522' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' W' ' 521' ' ' GLY . 51.5 Cg_exo -52.9 -32.2 55.97 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.602 2.202 . . . . 0.0 112.226 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.73 27.04 9.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 -179.919 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -145.73 60.75 0.48 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.526 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.46 -53.0 2.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.865 0.364 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . -156.47 -76.4 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.578 -179.898 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 56.65 68.62 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.823 0.344 . . . . 0.0 110.749 -179.852 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 63.58 138.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.857 180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' W' W ' 529' ' ' GLU . . . . . 0.447 ' HB3' ' NH1' ' W' ' 561' ' ' ARG . 14.5 tt0 -85.88 124.81 70.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -60.34 160.88 21.81 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.271 1.981 . . . . 0.0 112.483 -179.916 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' W' W ' 531' ' ' LEU . . . . . 0.941 HD21 ' HG3' ' W' ' 537' ' ' MET . 0.2 OUTLIER -75.04 146.43 82.35 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.206 179.673 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' W' W ' 532' ' ' PRO . . . . . 0.48 ' HG2' ' HG2' ' W' ' 560' ' ' PRO . 76.2 Cg_exo -49.08 -174.09 0.0 OUTLIER 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.625 2.217 . . . . 0.0 113.371 -179.271 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' W' W ' 533' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 24.8 Cg_exo -64.79 -12.39 33.85 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.303 2.669 . . . . 0.0 115.424 -177.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' W' W ' 534' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -145.79 43.76 1.26 Allowed 'General case' 0 C--N 1.312 -1.04 0 C-N-CA 120.17 -0.612 . . . . 0.0 111.845 -178.866 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' W' W ' 535' ' ' TRP . . . . . 0.532 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 47.9 m95 -137.97 168.93 18.7 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -179.87 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' W' W ' 536' ' ' SER . . . . . 0.889 ' CA ' HD22 ' W' ' 531' ' ' LEU . 0.6 OUTLIER -159.2 -167.68 2.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.497 -179.961 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' W' W ' 537' ' ' MET . . . . . 0.941 ' HG3' HD21 ' W' ' 531' ' ' LEU . 17.5 mtp -129.02 152.94 48.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.001 -179.881 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' W' W ' 538' ' ' GLN . . . . . 0.74 ' CB ' HD11 ' W' ' 548' ' ' ILE . 4.3 tp-100 -168.45 129.81 1.32 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.038 179.844 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' W' W ' 539' ' ' VAL . . . . . 0.439 ' O ' HG13 ' W' ' 539' ' ' VAL . 13.7 p -84.7 125.72 40.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.667 179.735 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' W' W ' 540' ' ' ALA . . . . . 0.831 ' HB1' ' HD2' ' W' ' 541' ' ' PRO . . . -98.17 169.79 7.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.454 -179.489 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' W' W ' 541' ' ' PRO . . . . . 0.831 ' HD2' ' HB1' ' W' ' 540' ' ' ALA . 56.5 Cg_endo -70.85 -23.52 25.75 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.546 2.164 . . . . 0.0 111.855 179.719 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' W' W ' 542' ' ' ASN . . . . . 0.401 ' ND2' ' NE ' ' W' ' 544' ' ' ARG . 52.7 t30 -50.25 -32.63 17.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.697 179.684 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 123.98 -10.21 8.39 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.858 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' W' W ' 544' ' ' ARG . . . . . 0.529 ' CG ' ' CZ3' ' W' ' 557' ' ' TRP . 2.2 ptp180 -131.35 158.28 41.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.048 0.452 . . . . 0.0 111.374 -179.804 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' W' W ' 545' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' W' ' 539' ' ' VAL . 0.3 OUTLIER -83.29 146.57 28.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.618 179.581 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' W' W ' 546' ' ' PHE . . . . . 0.791 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 5.8 p90 -118.59 -176.07 3.01 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.179 -179.66 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' W' W ' 547' ' ' PHE . . . . . 0.495 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.8 OUTLIER -120.88 118.36 29.73 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.294 0.568 . . . . 0.0 110.892 179.785 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' W' W ' 548' ' ' ILE . . . . . 0.74 HD11 ' CB ' ' W' ' 538' ' ' GLN . 3.3 mt -82.4 143.32 12.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.653 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -122.09 116.93 25.12 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.612 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' W' W ' 550' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -81.82 -26.41 34.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.186 -179.764 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -57.54 -38.36 74.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.881 179.837 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.67 -13.22 9.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.532 -179.903 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' W' W ' 553' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.98 43.1 0.33 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.833 0.349 . . . . 0.0 110.711 -179.75 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -131.56 -166.16 1.68 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 -179.836 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' W' W ' 555' ' ' THR . . . . . 0.425 HG22 ' HA ' ' W' ' 548' ' ' ILE . 38.8 p -142.22 176.2 9.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.275 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' W' W ' 556' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' W' ' 546' ' ' PHE . 10.0 t -167.29 167.27 14.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.369 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' W' W ' 557' ' ' TRP . . . . . 0.529 ' CZ3' ' CG ' ' W' ' 544' ' ' ARG . 11.6 m95 -96.53 11.8 33.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.022 -179.63 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' W' W ' 558' ' ' ILE . . . . . 0.403 HG22 ' N ' ' W' ' 559' ' ' ASP . 6.5 mm -128.61 154.44 39.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.922 0.391 . . . . 0.0 111.774 -179.272 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' W' W ' 559' ' ' ASP . . . . . 0.412 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 1.2 p30 -99.8 114.19 65.5 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.943 -179.867 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' W' W ' 560' ' ' PRO . . . . . 0.532 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 9.4 Cg_endo -55.87 -19.21 24.51 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.368 2.045 . . . . 0.0 112.507 -179.856 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' W' W ' 561' ' ' ARG . . . . . 0.447 ' NH1' ' HB3' ' W' ' 529' ' ' GLU . 0.1 OUTLIER -57.01 -59.39 5.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.994 0.426 . . . . 0.0 110.296 179.746 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -112.94 -40.92 3.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.699 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 108.61 39.41 1.76 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.858 -0.686 . . . . 0.0 112.419 -179.89 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.49 166.24 15.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.801 0.334 . . . . 0.0 110.927 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.7 104.45 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.236 -179.825 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 83.7 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 99.99 111.148 179.903 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 40.0 p . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.854 0.359 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . 60.16 17.69 46.21 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.796 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' P' P ' 229' ' ' LEU . . . . . 0.488 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 9.1 tp -101.72 110.4 61.89 Favored Pre-proline 0 C--N 1.329 -0.31 0 O-C-N 122.828 -0.219 . . . . 0.0 110.804 179.927 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' P' P ' 230' ' ' PRO . . . . . 0.579 ' HB2' ' HB2' ' P' ' 235' ' ' ALA . 44.0 Cg_exo -57.11 -154.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.38 2.054 . . . . 0.0 111.978 179.796 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 1.6 m -159.3 56.43 0.4 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.187 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' P' P ' 232' ' ' TYR . . . . . . . . . . . . . 1.9 t80 69.82 -67.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.015 179.519 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -49.53 -58.13 5.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.145 -179.834 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -76.6 -30.89 57.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 -179.757 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' P' P ' 235' ' ' ALA . . . . . 0.579 ' HB2' ' HB2' ' P' ' 230' ' ' PRO . . . -58.95 -54.26 49.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.245 -179.788 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 18.5 mt -66.52 -23.77 66.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.12 -179.862 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.414 -0.357 . . . . 99.99 110.908 -179.902 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' W' W ' 521' ' ' GLY . . . . . 0.578 ' N ' ' HD2' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.451 0 N-CA-C 110.078 -1.209 . . . . 99.99 110.078 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' W' W ' 522' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 67.8 Cg_endo -73.95 168.42 24.83 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.688 2.259 . . . . 0.0 112.376 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 4.9 mp -93.35 60.31 3.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.898 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -67.84 -146.07 0.12 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.567 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.88 156.79 42.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.813 0.339 . . . . 0.0 110.983 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . 151.95 110.41 0.46 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.442 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 63.49 33.26 13.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.354 . . . . 0.0 110.72 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.7 74.87 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.004 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' W' W ' 529' ' ' GLU . . . . . 0.435 ' HB3' ' HB2' ' W' ' 561' ' ' ARG . 7.5 tp10 -66.44 142.11 97.53 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.704 179.903 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.0 126.85 15.85 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.631 2.22 . . . . 0.0 112.525 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' W' W ' 531' ' ' LEU . . . . . 0.927 HD13 ' HA ' ' W' ' 536' ' ' SER . 0.0 OUTLIER -37.86 136.68 0.75 Allowed Pre-proline 0 N--CA 1.473 0.724 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.574 -179.93 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' W' W ' 532' ' ' PRO . . . . . 0.478 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 72.6 Cg_exo -50.85 -173.55 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.584 2.189 . . . . 0.0 113.312 -179.574 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' W' W ' 533' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 17.3 Cg_exo -71.28 -9.08 24.73 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.571 2.848 . . . . 0.0 114.974 -178.177 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' W' W ' 534' ' ' ARG . . . . . 0.443 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 19.2 mmt85 -142.1 38.9 1.6 Allowed 'General case' 0 C--N 1.313 -0.98 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.903 -178.829 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' W' W ' 535' ' ' TRP . . . . . 0.533 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 31.3 m95 -139.31 169.59 17.49 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.359 0.599 . . . . 0.0 112.483 -179.65 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' W' W ' 536' ' ' SER . . . . . 0.927 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.1 OUTLIER -142.4 -158.95 0.91 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.29 179.936 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' W' W ' 537' ' ' MET . . . . . 0.911 ' HG3' HD22 ' W' ' 531' ' ' LEU . 17.3 mtp -148.79 126.89 12.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.689 179.798 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' W' W ' 538' ' ' GLN . . . . . 0.46 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 1.5 tp60 -152.46 132.6 13.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.136 -179.637 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' W' W ' 539' ' ' VAL . . . . . 0.721 HG22 ' CG2' ' W' ' 545' ' ' THR . 12.6 t -80.43 127.6 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.464 179.609 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' W' W ' 540' ' ' ALA . . . . . 0.669 ' HB2' ' CD1' ' W' ' 546' ' ' PHE . . . -91.15 141.34 26.25 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.159 -179.661 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -55.0 -23.42 34.99 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.542 2.162 . . . . 0.0 111.471 179.457 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -51.99 -34.37 42.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.718 179.642 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 130.37 -12.84 5.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.908 179.767 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' W' W ' 544' ' ' ARG . . . . . 0.52 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -126.56 155.38 42.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.973 0.416 . . . . 0.0 111.206 -179.799 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' W' W ' 545' ' ' THR . . . . . 0.721 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.2 OUTLIER -84.68 146.13 27.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.435 179.289 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' W' W ' 546' ' ' PHE . . . . . 0.669 ' CD1' ' HB2' ' W' ' 540' ' ' ALA . 5.3 p90 -121.16 179.3 4.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.059 179.927 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' W' W ' 547' ' ' PHE . . . . . 0.479 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.3 OUTLIER -124.93 120.64 32.19 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.552 179.707 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' W' W ' 548' ' ' ILE . . . . . 0.577 ' HA ' HG22 ' W' ' 555' ' ' THR . 2.8 mp -79.32 143.39 12.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.429 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' W' W ' 549' ' ' ASP . . . . . 0.45 ' OD1' ' CE2' ' W' ' 535' ' ' TRP . 32.0 t70 -123.76 119.73 30.61 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.972 -179.288 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' W' W ' 550' ' ' HIS . . . . . 0.436 ' N ' ' CD2' ' W' ' 550' ' ' HIS . 4.8 m170 -91.27 -23.78 20.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.777 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -60.93 -39.41 89.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.179 -179.827 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.35 -12.33 10.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.678 -179.933 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' W' W ' 553' ' ' ARG . . . . . 0.484 ' HA ' ' CD2' ' P' ' 232' ' ' TYR . 0.2 OUTLIER 74.84 55.16 0.08 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.772 0.32 . . . . 0.0 110.823 -179.756 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' W' W ' 554' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' W' ' 549' ' ' ASP . 14.3 mtp180 -155.0 172.27 18.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' W' W ' 555' ' ' THR . . . . . 0.577 HG22 ' HA ' ' W' ' 548' ' ' ILE . 67.5 p -123.75 -176.26 3.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.808 0.337 . . . . 0.0 111.061 179.829 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' W' W ' 556' ' ' THR . . . . . 0.448 ' CA ' HD11 ' P' ' 229' ' ' LEU . 1.0 OUTLIER -174.88 166.89 3.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.439 179.973 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' W' W ' 557' ' ' TRP . . . . . 0.52 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 25.9 m95 -91.93 21.0 5.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.14 179.701 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.3 mm -133.48 143.9 37.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.075 0.464 . . . . 0.0 111.898 -178.771 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' W' W ' 559' ' ' ASP . . . . . 0.433 ' HA ' ' HD2' ' W' ' 560' ' ' PRO . 3.4 m-20 -94.79 111.51 54.58 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.687 179.783 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' W' W ' 560' ' ' PRO . . . . . 0.533 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 3.6 Cg_endo -49.6 -35.24 36.99 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 121.99 1.793 . . . . 0.0 111.531 179.896 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' W' W ' 561' ' ' ARG . . . . . 0.435 ' HB2' ' HB3' ' W' ' 529' ' ' GLU . 0.1 OUTLIER -49.99 -41.57 47.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.788 179.539 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -116.51 -64.44 1.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.801 179.885 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 118.45 33.86 1.16 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.454 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' W' W ' 564' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' W' ' 566' ' ' SER . 13.7 mtp180 -129.36 173.15 10.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.69 0.281 . . . . 0.0 110.813 179.905 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -65.13 70.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.546 -179.649 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' W' W ' 566' ' ' SER . . . . . 0.426 ' N ' ' O ' ' W' ' 564' ' ' ARG . 6.5 p . . . . . 0 C--N 1.332 -0.193 0 CA-C-N 116.179 -0.464 . . . . 99.99 111.476 179.658 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 65.3 p . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.785 0.326 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' P' P ' 228' ' ' GLY . . . . . . . . . . . . . . . 90.71 22.95 32.11 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' P' P ' 229' ' ' LEU . . . . . 0.497 ' HB2' ' CZ2' ' W' ' 557' ' ' TRP . 0.5 OUTLIER -105.57 100.59 27.44 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 120.519 0.199 . . . . 0.0 111.123 -179.701 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' P' P ' 230' ' ' PRO . . . . . 0.655 ' HB2' ' HB2' ' P' ' 235' ' ' ALA . 40.0 Cg_exo -56.38 93.8 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.331 2.021 . . . . 0.0 111.619 179.539 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' P' P ' 231' ' ' SER . . . . . 0.419 ' O ' ' N ' ' P' ' 233' ' ' ASP . 5.8 m -60.1 146.56 42.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.485 -179.442 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' P' P ' 232' ' ' TYR . . . . . 0.566 ' N ' HG23 ' W' ' 555' ' ' THR . 37.8 t80 -53.28 88.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.712 179.777 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' P' P ' 233' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' P' ' 231' ' ' SER . 0.3 OUTLIER 175.47 -37.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.768 -179.873 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -116.12 -20.56 9.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.4 -179.795 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' P' P ' 235' ' ' ALA . . . . . 0.655 ' HB2' ' HB2' ' P' ' 230' ' ' PRO . . . -72.01 -31.25 66.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.759 0.314 . . . . 0.0 111.272 -179.803 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' P' P ' 236' ' ' LEU . . . . . 0.515 HD11 ' CD1' ' P' ' 232' ' ' TYR . 5.4 mp -62.68 117.69 6.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 -179.775 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 99.99 110.949 -179.984 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' W' W ' 521' ' ' GLY . . . . . 0.59 ' N ' ' HD2' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.449 -0.475 0 N-CA-C 110.1 -1.2 . . . . 99.99 110.1 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' W' W ' 522' ' ' PRO . . . . . 0.59 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 58.0 Cg_endo -71.88 121.3 7.5 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.588 2.192 . . . . 0.0 112.42 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 10.1 tp 69.84 74.63 0.23 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . 116.02 -152.45 17.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 -179.939 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 58.9 m 62.32 152.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.848 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . 115.46 -111.57 2.49 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.508 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -134.46 34.77 3.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -141.13 102.88 4.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.819 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' W' W ' 529' ' ' GLU . . . . . 0.43 ' HB3' ' HD3' ' W' ' 561' ' ' ARG . 0.0 OUTLIER -72.16 143.15 85.69 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.077 -179.942 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' W' W ' 530' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' W' ' 529' ' ' GLU . 46.6 Cg_exo -56.7 150.11 55.2 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.682 2.254 . . . . 0.0 112.629 179.929 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' W' W ' 531' ' ' LEU . . . . . 0.655 HD13 ' HA ' ' W' ' 536' ' ' SER . 1.0 OUTLIER -96.33 136.64 21.84 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.618 179.233 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' W' W ' 532' ' ' PRO . . . . . 0.486 ' HB2' ' CD1' ' W' ' 535' ' ' TRP . 71.9 Cg_exo -49.67 -176.01 0.01 OUTLIER 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 122.468 2.112 . . . . 0.0 113.5 -178.734 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' W' W ' 533' ' ' PRO . . . . . 0.44 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 17.1 Cg_exo -71.15 -1.11 9.07 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.584 2.856 . . . . 0.0 115.153 -177.893 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' W' W ' 534' ' ' ARG . . . . . 0.439 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 6.1 mmt180 -151.17 38.46 0.65 Allowed 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 120.211 -0.596 . . . . 0.0 111.492 -179.189 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' W' W ' 535' ' ' TRP . . . . . 0.518 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 31.8 m95 -139.24 168.91 18.76 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.34 0.591 . . . . 0.0 112.439 -179.632 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' W' W ' 536' ' ' SER . . . . . 0.655 ' HA ' HD13 ' W' ' 531' ' ' LEU . 0.1 OUTLIER -146.32 -157.31 0.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.334 -179.826 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' W' W ' 537' ' ' MET . . . . . 0.42 ' HG3' ' CD2' ' W' ' 531' ' ' LEU . 28.3 mtp -149.17 128.9 13.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.797 0.332 . . . . 0.0 110.85 179.889 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' W' W ' 538' ' ' GLN . . . . . 0.46 ' O ' ' CE1' ' W' ' 546' ' ' PHE . 0.7 OUTLIER -153.21 134.6 14.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.041 -179.713 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' W' W ' 539' ' ' VAL . . . . . 0.601 HG22 ' CG2' ' W' ' 545' ' ' THR . 2.3 t -81.56 133.1 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.767 179.828 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' W' W ' 540' ' ' ALA . . . . . 0.705 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -99.14 154.93 37.07 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.234 -179.712 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -61.75 -25.51 78.74 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.528 2.152 . . . . 0.0 111.655 179.678 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -50.16 -34.41 22.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.835 179.711 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 126.62 -8.45 7.34 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.944 179.889 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' W' W ' 544' ' ' ARG . . . . . 0.519 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.0 OUTLIER -130.88 154.49 48.02 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.946 0.403 . . . . 0.0 111.237 -179.801 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' W' W ' 545' ' ' THR . . . . . 0.601 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.8 OUTLIER -82.16 146.49 29.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.759 179.628 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' W' W ' 546' ' ' PHE . . . . . 0.705 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 5.3 p90 -119.56 -176.5 3.17 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 -179.893 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' W' W ' 547' ' ' PHE . . . . . 0.496 ' CD2' ' HD2' ' W' ' 560' ' ' PRO . 0.6 OUTLIER -125.85 123.71 39.28 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.584 179.716 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' W' W ' 548' ' ' ILE . . . . . 0.586 HG13 HG22 ' W' ' 555' ' ' THR . 2.7 mp -85.4 149.79 4.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.798 -179.64 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' W' W ' 549' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -126.77 116.44 20.91 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' W' W ' 550' ' ' HIS . . . . . 0.419 ' N ' ' CD2' ' W' ' 550' ' ' HIS . 6.7 m170 -81.56 -29.94 33.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.999 -179.853 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -48.88 -33.96 11.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.144 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.76 7.2 3.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.658 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' W' W ' 553' ' ' ARG . . . . . 0.465 ' HA ' ' CD2' ' P' ' 232' ' ' TYR . 10.1 mmt85 58.91 61.35 2.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.612 0.244 . . . . 0.0 111.085 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' W' W ' 554' ' ' ARG . . . . . 0.404 ' HB2' ' CZ ' ' W' ' 554' ' ' ARG . 13.2 mtm105 -144.6 -166.17 2.32 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.853 0.359 . . . . 0.0 111.415 -179.877 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' W' W ' 555' ' ' THR . . . . . 0.586 HG22 HG13 ' W' ' 548' ' ' ILE . 65.2 p -146.78 -178.4 6.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.801 179.938 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.21 163.2 2.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.214 179.766 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' W' W ' 557' ' ' TRP . . . . . 0.519 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 18.8 m95 -88.58 16.26 6.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.71 -179.887 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 5.0 mm -128.02 143.14 41.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.036 0.446 . . . . 0.0 111.858 -178.938 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' W' W ' 559' ' ' ASP . . . . . 0.435 ' HA ' ' HD2' ' W' ' 560' ' ' PRO . 1.4 m-20 -98.48 111.28 59.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.122 -179.61 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' W' W ' 560' ' ' PRO . . . . . 0.518 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 5.6 Cg_endo -50.93 -34.6 46.5 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 121.962 1.775 . . . . 0.0 111.44 179.682 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' W' W ' 561' ' ' ARG . . . . . 0.43 ' HD3' ' HB3' ' W' ' 529' ' ' GLU . 0.0 OUTLIER -53.84 -29.39 40.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.709 179.483 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' W' W ' 562' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -130.36 -67.21 0.74 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' W' W ' 563' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' W' ' 559' ' ' ASP . . . 117.11 49.16 0.42 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.467 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -145.12 166.39 25.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.364 . . . . 0.0 110.955 -179.92 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' W' W ' 565' ' ' ALA . . . . . . . . . . . . . . . -62.27 118.16 7.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.098 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' W' W ' 566' ' ' SER . . . . . 0.407 ' HB2' ' OD1' ' W' ' 559' ' ' ASP . 1.8 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 99.99 110.981 -179.881 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' P' P ' 227' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.785 0.326 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' P' P ' 228' ' ' GLY . . . . . 0.403 ' O ' ' HD3' ' P' ' 230' ' ' PRO . . . 133.89 59.31 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' P' P ' 229' ' ' LEU . . . . . 0.5 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 4.1 tp -101.75 104.04 32.47 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 120.481 0.181 . . . . 0.0 110.863 179.903 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' P' P ' 230' ' ' PRO . . . . . 0.539 ' HB2' ' HB2' ' P' ' 235' ' ' ALA . 14.4 Cg_exo -69.64 110.51 2.55 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.676 2.25 . . . . 0.0 111.966 -179.899 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 19.5 p -49.48 156.72 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.06 -179.827 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' P' P ' 232' ' ' TYR . . . . . 0.563 ' CG ' HG23 ' W' ' 548' ' ' ILE . 1.2 t80 -74.45 82.35 1.95 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.94 -179.76 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 28.7 t70 177.22 -36.03 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.698 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.76 -24.87 14.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.821 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' P' P ' 235' ' ' ALA . . . . . 0.539 ' HB2' ' HB2' ' P' ' 230' ' ' PRO . . . -99.31 63.38 1.29 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.156 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.51 74.18 0.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.067 -179.897 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 4.3 p80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 99.99 110.823 179.786 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' W' W ' 521' ' ' GLY . . . . . 0.63 ' N ' ' HD2' ' W' ' 522' ' ' PRO . . . . . . . . 0 N--CA 1.448 -0.509 0 N-CA-C 110.095 -1.202 . . . . 99.99 110.095 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' W' W ' 522' ' ' PRO . . . . . 0.63 ' HD2' ' N ' ' W' ' 521' ' ' GLY . 51.7 Cg_endo -68.77 -46.25 1.82 Allowed 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.53 2.153 . . . . 0.0 112.248 179.888 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' W' W ' 523' ' ' LEU . . . . . . . . . . . . . 3.2 mt -105.65 64.78 0.7 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.764 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' W' W ' 524' ' ' GLY . . . . . . . . . . . . . . . -148.68 166.9 29.25 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.442 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' W' W ' 525' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.61 154.87 42.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' W' W ' 526' ' ' GLY . . . . . . . . . . . . . . . 140.65 148.28 5.1 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' W' W ' 527' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -72.6 -59.31 2.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.856 0.36 . . . . 0.0 110.804 179.919 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' W' W ' 528' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -155.75 -83.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.792 179.913 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' W' W ' 529' ' ' GLU . . . . . 0.44 ' HB3' ' CD ' ' W' ' 561' ' ' ARG . 3.1 tp10 -124.37 125.19 25.69 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.993 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' W' W ' 530' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.74 113.02 1.19 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.499 2.133 . . . . 0.0 112.334 179.933 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' W' W ' 531' ' ' LEU . . . . . 0.988 HD21 ' HG3' ' W' ' 537' ' ' MET . 1.0 OUTLIER -51.66 140.24 28.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.441 179.717 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' W' W ' 532' ' ' PRO . . . . . 0.47 ' CB ' ' CD ' ' W' ' 533' ' ' PRO . 70.8 Cg_exo -50.76 -174.2 0.01 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.427 2.084 . . . . 0.0 112.954 -179.435 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' W' W ' 533' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' W' ' 532' ' ' PRO . 22.1 Cg_exo -68.43 -12.15 34.02 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.282 2.655 . . . . 0.0 115.223 -178.056 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' W' W ' 534' ' ' ARG . . . . . 0.446 ' C ' ' CD1' ' W' ' 535' ' ' TRP . 19.2 mmt180 -142.2 45.35 1.65 Allowed 'General case' 0 C--N 1.314 -0.97 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.744 -178.833 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' W' W ' 535' ' ' TRP . . . . . 0.518 ' CD2' ' HG3' ' W' ' 560' ' ' PRO . 41.3 m95 -143.32 169.2 18.09 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -179.65 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' W' W ' 536' ' ' SER . . . . . 0.81 ' HA ' HD22 ' W' ' 531' ' ' LEU . 0.3 OUTLIER -154.95 -163.77 1.64 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.332 179.906 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' W' W ' 537' ' ' MET . . . . . 0.988 ' HG3' HD21 ' W' ' 531' ' ' LEU . 5.2 mtt -131.28 153.22 49.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.075 -179.741 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' W' W ' 538' ' ' GLN . . . . . 0.547 ' HB2' HD11 ' W' ' 548' ' ' ILE . 4.8 tp-100 -169.17 128.49 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.789 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' W' W ' 539' ' ' VAL . . . . . 0.784 HG22 ' CG2' ' W' ' 545' ' ' THR . 17.9 t -85.44 125.67 40.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.575 179.66 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' W' W ' 540' ' ' ALA . . . . . 0.812 ' HB2' ' CE1' ' W' ' 546' ' ' PHE . . . -100.53 152.55 37.87 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.423 -179.388 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' W' W ' 541' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_exo -60.46 -25.61 80.9 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.666 2.244 . . . . 0.0 111.512 179.545 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' W' W ' 542' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -47.18 -34.03 5.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.667 179.674 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' W' W ' 543' ' ' GLY . . . . . . . . . . . . . . . 126.32 -10.43 7.3 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.747 179.833 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' W' W ' 544' ' ' ARG . . . . . 0.512 ' HG2' ' CZ3' ' W' ' 557' ' ' TRP . 0.1 OUTLIER -131.3 155.24 47.52 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.942 0.401 . . . . 0.0 111.16 -179.936 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' W' W ' 545' ' ' THR . . . . . 0.784 ' CG2' HG22 ' W' ' 539' ' ' VAL . 0.6 OUTLIER -80.37 146.11 31.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.16 179.221 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' W' W ' 546' ' ' PHE . . . . . 0.812 ' CE1' ' HB2' ' W' ' 540' ' ' ALA . 4.7 p90 -118.44 169.54 9.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.885 0.374 . . . . 0.0 110.958 179.884 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' W' W ' 547' ' ' PHE . . . . . 0.677 ' CE2' HD23 ' W' ' 531' ' ' LEU . 0.6 OUTLIER -115.64 129.31 56.45 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.476 0.655 . . . . 0.0 111.05 -179.558 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' W' W ' 548' ' ' ILE . . . . . 0.631 HG13 HG22 ' W' ' 555' ' ' THR . 2.7 mp -89.21 151.25 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.678 -179.817 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' W' W ' 549' ' ' ASP . . . . . 0.436 ' OD2' ' CZ2' ' W' ' 535' ' ' TRP . 7.1 t70 -128.67 115.32 17.85 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.926 -179.758 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' W' W ' 550' ' ' HIS . . . . . 0.415 ' HB2' ' HD3' ' W' ' 534' ' ' ARG . 7.2 m170 -82.31 -24.58 34.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' W' W ' 551' ' ' ALA . . . . . . . . . . . . . . . -54.94 -39.9 69.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.757 179.706 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' W' W ' 552' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.86 -4.33 8.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.549 179.911 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' W' W ' 553' ' ' ARG . . . . . 0.431 ' HA ' ' CD2' ' P' ' 232' ' ' TYR . 13.0 mmt180 66.59 64.09 0.5 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.836 0.35 . . . . 0.0 110.841 -179.666 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' W' W ' 554' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -152.7 -174.97 5.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.801 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' W' W ' 555' ' ' THR . . . . . 0.631 HG22 HG13 ' W' ' 548' ' ' ILE . 41.3 p -137.78 171.21 14.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 179.792 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' W' W ' 556' ' ' THR . . . . . . . . . . . . . 1.8 t -164.52 169.97 16.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.064 0.459 . . . . 0.0 111.385 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' W' W ' 557' ' ' TRP . . . . . 0.512 ' CZ3' ' HG2' ' W' ' 544' ' ' ARG . 27.7 m95 -93.49 19.87 7.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.144 179.795 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' W' W ' 558' ' ' ILE . . . . . . . . . . . . . 4.6 mm -133.36 137.27 53.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.916 0.388 . . . . 0.0 111.572 -179.133 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' W' W ' 559' ' ' ASP . . . . . 0.499 ' HB3' ' CE1' ' W' ' 547' ' ' PHE . 21.9 p30 -97.71 114.39 64.89 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.687 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' W' W ' 560' ' ' PRO . . . . . 0.518 ' HG3' ' CD2' ' W' ' 535' ' ' TRP . 5.1 Cg_endo -50.54 -35.97 47.9 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.374 2.049 . . . . 0.0 112.217 -179.766 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' W' W ' 561' ' ' ARG . . . . . 0.44 ' CD ' ' HB3' ' W' ' 529' ' ' GLU . 0.1 OUTLIER -49.02 -32.33 9.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.925 179.823 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' W' W ' 562' ' ' ASN . . . . . 0.411 ' ND2' ' OD2' ' W' ' 559' ' ' ASP . 3.0 m-20 -129.35 -63.71 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.725 -179.918 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' W' W ' 563' ' ' GLY . . . . . . . . . . . . . . . 120.9 33.96 0.94 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.612 179.92 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' W' W ' 564' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.55 178.74 6.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' W' W ' 565' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' W' ' 557' ' ' TRP . . . -50.83 108.94 0.27 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' W' W ' 566' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.05 -0.523 . . . . 99.99 110.968 179.98 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' P' P ' 227' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' P' ' 228' ' ' GLY . 2.8 t . . . . . 0 N--CA 1.485 1.279 0 CA-C-O 120.725 0.297 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' P' P ' 228' ' ' GLY . . . . . 0.413 ' N ' ' OG1' ' P' ' 227' ' ' THR . . . 122.82 36.16 0.69 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.443 -179.927 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' P' P ' 229' ' ' LEU . . . . . 0.495 ' HB2' ' CE2' ' W' ' 557' ' ' TRP . 0.4 OUTLIER -105.91 101.01 31.09 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.624 0.25 . . . . 0.0 111.013 -179.892 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' P' P ' 230' ' ' PRO . . . . . 0.524 ' HB3' ' HB2' ' P' ' 235' ' ' ALA . 33.3 Cg_exo -57.58 104.52 0.16 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.363 2.042 . . . . 0.0 112.058 179.808 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' P' P ' 231' ' ' SER . . . . . . . . . . . . . 16.7 t -53.19 154.42 3.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.256 -179.786 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' P' P ' 232' ' ' TYR . . . . . 0.558 ' CG ' HG23 ' W' ' 548' ' ' ILE . 1.1 t80 -70.19 72.7 0.45 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.965 -179.897 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' P' P ' 233' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -173.28 -41.81 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.667 179.887 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' P' P ' 234' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -108.53 21.67 16.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.931 179.693 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' P' P ' 235' ' ' ALA . . . . . 0.524 ' HB2' ' HB3' ' P' ' 230' ' ' PRO . . . -153.54 70.96 0.86 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.086 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' P' P ' 236' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -152.31 29.51 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' P' P ' 237' ' ' HIS . . . . . . . . . . . . . 8.2 p80 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 99.99 110.88 179.987 . . . . . . . . 0 0 . 1 stop_ save_