data_2odd_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 2odd _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 10.2 m-20 . . . . . 0 CA--C 1.529 0.149 0 CA-C-O 120.544 0.211 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B 1105 ' ' PRO . . . . . 0.437 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 44.9 Cg_endo -68.16 155.64 68.73 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.46 2.107 . . . . 0.0 112.282 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -52.07 168.77 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.576 2.184 . . . . 0.0 112.282 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.02 158.35 56.89 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.538 2.159 . . . . 0.0 112.475 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 12.1 mt -97.26 145.98 25.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1109 ' ' ILE . . . . . 0.516 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -113.93 122.92 69.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.95 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.3 127.57 38.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.84 0.352 . . . . 0.0 110.824 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 36.9 t . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.475 179.669 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 662' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.827 0.346 . . . . 0.0 110.934 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.496 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 5.9 t -66.3 125.79 26.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.441 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.4 m0 -63.64 -20.99 66.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.505 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -101.35 -63.6 1.13 Allowed 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.357 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.496 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.1 m -55.06 -61.36 2.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.543 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.4 23.95 8.14 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.42 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -127.22 -65.79 0.92 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.725 0.297 . . . . 0.0 110.837 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -157.0 151.97 26.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.14 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . 0.433 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -141.35 143.05 33.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.128 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 16.0 p -119.78 -6.12 10.13 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.694 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 682' ' ' TYR . 4.8 mm-40 -109.68 157.88 18.65 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.887 0.375 . . . . 0.0 110.347 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 673' ' ' THR . . . . . 0.516 ' HB ' HG13 ' B' 1109 ' ' ILE . 53.6 m -132.36 139.55 48.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.499 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 41.4 t -68.78 106.09 2.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.239 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 24.7 p -66.41 -9.85 37.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.182 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -75.67 -50.94 7.54 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.455 -0.878 . . . . 0.0 112.275 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 24.4 p -108.92 -11.75 14.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.714 0.293 . . . . 0.0 111.127 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 59.86 23.59 12.59 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.927 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 95.8 m -122.26 -37.05 2.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.981 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.458 ' CB ' ' CE1' ' A' ' 695' ' ' HIS . . . -73.91 155.41 38.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.769 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 16.0 mmm-85 -138.32 141.73 39.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.482 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . 0.427 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 91.2 m-85 -152.3 148.45 27.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.565 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . 0.433 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.3 p -93.37 -18.02 22.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.446 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.37 150.07 22.04 Favored Glycine 0 C--N 1.334 0.452 0 C-N-CA 120.186 -1.006 . . . . 0.0 112.998 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.65 -32.12 12.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.634 0.254 . . . . 0.0 111.519 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -72.48 -35.55 68.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.765 0.317 . . . . 0.0 110.618 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 35.8 m -63.03 -42.93 99.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.429 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . 0.463 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -65.02 -37.7 88.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.87 -179.742 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . 0.463 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 5.6 m170 -70.31 -37.89 74.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.801 0.334 . . . . 0.0 111.357 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -52.3 65.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.87 -10.24 57.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.144 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.44 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 8.8 t-105 -44.95 -45.19 10.34 Favored 'General case' 0 N--CA 1.461 0.113 0 N-CA-C 111.857 0.318 . . . . 0.0 111.857 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.544 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.4 OUTLIER -52.86 -41.12 64.0 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.788 0.328 . . . . 0.0 111.413 -179.496 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . 0.455 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 16.3 mtmt -87.14 -47.7 8.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.39 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . 0.458 ' CE1' ' CB ' ' A' ' 680' ' ' ALA . 75.6 t60 -59.0 -42.09 89.22 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.547 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 3.5 p80 -54.63 -29.3 51.76 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . 0.547 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 70.6 m-70 -60.71 -30.73 70.13 Favored 'General case' 0 C--N 1.334 -0.067 0 C-N-CA 120.495 -0.482 . . . . 0.0 109.721 178.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.5 mt -93.56 -53.74 8.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.816 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.463 0.221 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -179.245 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 83.4 m-20 . . . . . 0 CA--C 1.529 0.168 0 CA-C-O 120.555 0.217 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B 1105 ' ' PRO . . . . . 0.45 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 37.9 Cg_endo -66.52 171.18 11.04 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.458 2.106 . . . . 0.0 112.348 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -73.73 170.59 19.67 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.685 2.257 . . . . 0.0 112.369 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.67 156.27 61.28 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.559 2.173 . . . . 0.0 112.397 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 16.1 mt -96.26 145.75 25.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.781 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1109 ' ' ILE . . . . . 0.523 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -115.46 122.92 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.006 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.87 127.76 35.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 20.2 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 662' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.777 0.322 . . . . 0.0 110.993 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.505 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 5.7 t -68.47 125.46 26.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.035 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.448 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.6 m0 -63.48 -20.32 65.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.481 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -102.37 -62.5 1.26 Allowed 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.455 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.505 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.7 m -55.71 -60.25 3.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.64 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 102.43 19.17 14.51 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.464 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -121.39 -66.44 1.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.784 0.326 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -157.43 152.61 25.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.157 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . 0.424 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -142.09 143.22 32.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.135 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 3.2 m -120.75 -4.91 9.69 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.753 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -109.75 156.42 20.33 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.815 0.34 . . . . 0.0 110.379 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 673' ' ' THR . . . . . 0.523 ' HB ' HG13 ' B' 1109 ' ' ILE . 52.5 m -131.21 139.52 49.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.55 -178.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 41.3 t -69.34 107.72 3.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.233 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 83.0 p -67.73 -9.84 47.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.108 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -76.28 -49.21 8.56 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.311 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 25.6 p -110.7 -12.19 14.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.618 0.247 . . . . 0.0 111.075 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 3.2 m120 59.99 23.87 13.02 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.996 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 97.4 m -122.59 -37.02 2.83 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.455 ' CB ' ' CE1' ' A' ' 695' ' ' HIS . . . -73.07 155.27 39.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.759 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -138.2 141.81 40.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.544 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . 0.424 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 90.5 m-85 -152.34 148.07 27.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.612 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . 0.424 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.8 p -92.66 -18.96 22.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.409 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -148.92 148.7 20.35 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 120.214 -0.993 . . . . 0.0 112.746 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 7.1 t -49.25 -33.45 12.81 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.711 0.291 . . . . 0.0 111.355 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -70.7 -35.39 72.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.805 0.336 . . . . 0.0 110.516 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 58.5 m -63.1 -42.24 99.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.406 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . 0.48 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -64.99 -37.14 86.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.853 -179.741 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . 0.48 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 8.5 m170 -70.47 -37.4 74.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.783 0.325 . . . . 0.0 111.396 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -52.36 65.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.132 0.491 . . . . 0.0 111.211 -179.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.06 -10.11 57.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.101 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.45 ' CE2' ' HB3' ' B' 1105 ' ' PRO . 9.1 t-105 -45.18 -45.56 11.62 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.564 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.2 OUTLIER -53.03 -40.47 63.94 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.737 0.303 . . . . 0.0 111.193 -179.331 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . 0.507 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 43.6 mtmt -87.09 -48.22 8.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.897 0.379 . . . . 0.0 111.321 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . 0.455 ' CE1' ' CB ' ' A' ' 680' ' ' ALA . 75.4 t60 -58.13 -41.59 84.02 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -178.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.564 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 3.1 p80 -54.63 -29.45 52.11 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -178.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . 0.545 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 62.3 m-70 -60.85 -31.85 71.28 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.389 -0.525 . . . . 0.0 109.768 178.268 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.8 mt -91.12 -54.6 7.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.872 -178.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 N--CA 1.463 0.215 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.386 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 80.6 m-20 . . . . . 0 CA--C 1.529 0.143 0 CA-C-O 120.48 0.181 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B 1105 ' ' PRO . . . . . 0.477 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 29.3 Cg_endo -64.89 171.97 7.85 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.382 2.055 . . . . 0.0 112.363 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1106 ' ' PRO . . . . . 0.407 ' HG3' ' HA3' ' A' ' 676' ' ' GLY . 59.3 Cg_endo -71.87 163.58 38.4 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.647 2.231 . . . . 0.0 111.89 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 161.29 46.49 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.38 2.053 . . . . 0.0 112.362 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 10.3 mt -99.63 148.14 24.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.048 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1109 ' ' ILE . . . . . 0.512 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.0 OUTLIER -115.29 123.16 70.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.785 179.814 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.45 129.64 34.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.021 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 46.4 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.938 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 662' ' ' SER . . . . . 0.419 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.784 0.326 . . . . 0.0 110.897 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.529 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 6.0 t -69.26 126.55 30.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.219 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.476 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.1 m0 -63.17 -26.28 68.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.522 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . 0.41 ' OD1' ' HE2' ' A' ' 690' ' ' LYS . 1.7 t30 -96.97 -62.68 1.22 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.4 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.529 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 64.1 m -54.9 -60.63 3.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.492 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.13 22.77 8.97 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.347 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.46 -72.36 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.695 0.283 . . . . 0.0 110.852 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 8.1 mmtt -150.12 150.17 31.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.079 0.466 . . . . 0.0 111.373 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . 0.416 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -140.72 143.08 34.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.987 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 26.1 t -118.79 -6.1 10.6 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -109.72 159.92 16.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.8 0.333 . . . . 0.0 110.493 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 673' ' ' THR . . . . . 0.512 ' HB ' HG13 ' B' 1109 ' ' ILE . 52.9 m -135.02 139.74 45.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.592 -178.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 45.5 t -66.8 104.53 1.35 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.169 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 86.4 p -66.73 -9.77 40.0 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . 0.407 ' HA3' ' HG3' ' B' 1106 ' ' PRO . . . -79.32 -45.5 8.75 Favored Glycine 0 C--N 1.33 0.22 0 C-N-CA 120.432 -0.89 . . . . 0.0 112.523 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 12.5 p -110.1 -14.63 14.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.806 0.336 . . . . 0.0 110.959 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 4.6 m120 60.85 22.16 12.26 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.057 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 79.0 m -121.85 -37.1 2.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.909 0.385 . . . . 0.0 111.982 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.476 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -73.99 155.41 38.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.933 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -138.34 141.42 39.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.343 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . 0.418 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 95.2 m-85 -152.57 147.62 26.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.827 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . 0.416 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 18.7 p -91.76 -19.84 22.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.167 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -152.26 152.39 24.11 Favored Glycine 0 C--N 1.334 0.471 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.838 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 685' ' ' SER . . . . . 0.417 ' O ' ' HG2' ' A' ' 688' ' ' GLN . 83.5 p -49.69 -33.12 14.92 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.808 0.337 . . . . 0.0 111.324 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -65.03 -41.39 95.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.952 0.406 . . . . 0.0 110.241 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 21.1 m -63.61 -45.09 91.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.469 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . 0.466 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 1.7 pt20 -61.82 -42.89 99.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.742 0.306 . . . . 0.0 110.562 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . 0.466 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 17.9 m170 -70.37 -37.29 74.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.392 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . 0.41 ' HE2' ' OD1' ' A' ' 665' ' ' ASN . 0.0 OUTLIER -57.32 -52.58 64.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.006 0.432 . . . . 0.0 111.423 -179.302 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.85 -8.41 58.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.044 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.477 ' CE2' ' HB3' ' B' 1105 ' ' PRO . 7.6 t-105 -45.44 -44.63 12.33 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.535 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.6 OUTLIER -52.99 -41.82 64.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.791 0.329 . . . . 0.0 111.328 -179.489 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . 0.47 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 12.5 mtmm -87.3 -47.74 8.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.042 0.449 . . . . 0.0 111.099 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . 0.469 ' CE1' ' CB ' ' A' ' 680' ' ' ALA . 60.3 t60 -58.8 -40.19 83.35 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -178.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.541 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 3.7 p80 -54.39 -28.82 46.04 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -178.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . 0.541 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 65.5 m-70 -60.29 -32.22 70.99 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.588 178.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.2 pt -106.59 -3.74 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -178.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.938 0.399 . . . . 0.0 111.271 -179.107 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B 1104 ' ' ASN . . . . . 0.46 ' HA ' ' HD3' ' B' 1105 ' ' PRO . 12.5 m-20 . . . . . 0 CA--C 1.53 0.176 0 CA-C-O 120.387 0.137 . . . . 0.0 110.689 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1105 ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' B' 1104 ' ' ASN . 2.3 Cg_endo -82.95 151.75 14.33 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.564 2.176 . . . . 0.0 112.092 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -52.1 168.53 0.37 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.523 2.149 . . . . 0.0 112.166 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -69.43 160.67 48.89 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.603 2.202 . . . . 0.0 112.45 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 19.8 mt -97.44 146.91 24.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1109 ' ' ILE . . . . . 0.513 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.1 pt -114.22 122.93 69.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.933 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 4.8 p -84.12 133.61 34.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 47.4 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.914 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 662' ' ' SER . . . . . 0.42 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 13.2 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.8 0.333 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.52 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 8.0 t -69.36 127.14 31.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.053 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.482 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.5 m0 -63.17 -26.69 68.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.553 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -96.46 -62.62 1.24 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.52 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.52 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 69.7 m -55.07 -60.55 3.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.48 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 102.79 24.85 7.9 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -129.22 -70.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.64 0.257 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 11.2 mmtp -150.8 149.35 29.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.017 0.437 . . . . 0.0 111.423 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . 0.434 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -140.49 142.83 35.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.961 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 6.9 m -119.67 -5.53 10.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.735 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -109.68 159.14 17.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.877 0.37 . . . . 0.0 110.446 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 673' ' ' THR . . . . . 0.513 ' HB ' HG13 ' B' 1109 ' ' ILE . 86.0 m -135.49 139.55 44.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.511 -178.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 41.8 t -66.44 103.56 1.07 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.126 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 79.3 p -65.2 -10.06 28.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.184 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -78.54 -43.96 11.54 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.429 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 22.7 p -113.49 -14.14 12.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.662 0.268 . . . . 0.0 111.267 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 60.48 23.49 13.13 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.049 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 80.3 m -122.08 -37.45 2.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.916 0.388 . . . . 0.0 111.933 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.482 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -75.19 155.21 37.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.819 -179.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -138.3 141.79 39.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.5 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 90.0 m-85 -152.32 148.02 27.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.6 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . 0.434 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 19.7 p -92.85 -18.27 23.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.458 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.37 150.9 23.0 Favored Glycine 0 C--N 1.334 0.444 0 C-N-CA 120.155 -1.021 . . . . 0.0 113.258 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 685' ' ' SER . . . . . 0.409 ' O ' ' HG3' ' A' ' 688' ' ' GLN . 19.0 p -51.8 -22.78 3.94 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . 0.406 ' CE2' ' SG ' ' A' ' 687' ' ' CYS . 38.0 p90 -81.32 -34.72 31.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.77 0.319 . . . . 0.0 110.566 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . 0.406 ' SG ' ' CE2' ' A' ' 686' ' ' PHE . 16.3 m -64.27 -43.89 93.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.252 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . 0.453 ' OE1' ' CD2' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -61.62 -42.36 98.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.732 -179.842 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . 0.453 ' CD2' ' OE1' ' A' ' 688' ' ' GLN . 1.4 m170 -68.63 -37.15 79.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.482 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -52.38 65.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.064 0.459 . . . . 0.0 111.225 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.24 -10.31 56.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.054 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.434 ' CE2' ' HG3' ' B' 1105 ' ' PRO . 11.7 t-105 -45.41 -44.18 11.83 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.535 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.2 OUTLIER -52.96 -41.52 64.62 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.657 0.265 . . . . 0.0 111.392 -179.291 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . 0.462 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 3.9 mtmm -87.13 -47.68 8.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.911 0.386 . . . . 0.0 111.232 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . 0.449 ' CE1' ' HB3' ' A' ' 680' ' ' ALA . 57.1 t60 -57.41 -43.09 83.44 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.551 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 4.0 p80 -54.55 -28.79 48.23 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -178.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . 0.551 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 65.7 m-70 -60.97 -24.99 66.52 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.391 178.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.33 -6.04 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -178.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.326 -0.451 0 CA-C-O 120.865 0.364 . . . . 0.0 111.012 -179.761 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 3.0 m-80 . . . . . 0 CA--C 1.528 0.128 0 CA-C-O 120.562 0.22 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B 1105 ' ' PRO . . . . . 0.435 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 37.7 Cg_endo -65.97 171.66 9.65 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.401 2.067 . . . . 0.0 112.404 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.94 170.91 17.71 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.701 2.267 . . . . 0.0 112.319 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.65 156.57 60.77 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.61 2.206 . . . . 0.0 112.395 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 20.4 mt -96.44 145.83 25.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.803 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1109 ' ' ILE . . . . . 0.519 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -116.08 122.99 70.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 36.4 p -81.49 129.7 34.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 61.1 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 -179.943 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 662' ' ' SER . . . . . 0.463 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.835 0.35 . . . . 0.0 111.046 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.498 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 5.7 t -65.95 125.82 26.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.006 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.464 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.9 m0 -63.14 -20.16 65.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.48 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . 0.401 ' OD1' ' HE2' ' A' ' 690' ' ' LYS . 2.7 t30 -103.22 -62.67 1.26 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.457 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.498 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.7 m -55.44 -60.43 3.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.645 -179.122 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.55 23.46 9.46 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.437 -0.887 . . . . 0.0 112.405 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.42 -62.01 1.23 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.748 0.309 . . . . 0.0 110.838 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -163.12 153.17 15.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.104 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . 0.413 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -142.46 143.86 32.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.175 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 60.7 m -120.64 -4.89 9.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.672 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -109.66 157.99 18.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.822 0.344 . . . . 0.0 110.454 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 673' ' ' THR . . . . . 0.519 ' HB ' HG13 ' B' 1109 ' ' ILE . 61.9 m -133.22 139.46 47.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.569 -178.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 39.1 t -68.94 106.94 2.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.165 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 85.4 p -67.12 -9.73 42.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.16 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -76.49 -48.75 8.8 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.473 -0.87 . . . . 0.0 112.303 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 25.1 p -110.99 -12.39 14.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.632 0.253 . . . . 0.0 111.166 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.4 m120 60.17 23.68 13.0 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.75 0.31 . . . . 0.0 110.965 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 97.2 m -122.28 -37.06 2.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.927 0.394 . . . . 0.0 112.013 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.464 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -73.58 154.78 39.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.721 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -138.28 141.73 39.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.521 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . 0.426 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 91.0 m-85 -152.36 148.52 27.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.695 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . 0.413 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.0 p -93.0 -18.55 22.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.409 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.55 149.32 21.25 Favored Glycine 0 C--N 1.334 0.417 0 C-N-CA 120.237 -0.982 . . . . 0.0 112.887 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 8.6 t -50.12 -30.66 11.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.709 0.29 . . . . 0.0 111.534 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -73.42 -35.46 65.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.759 0.314 . . . . 0.0 110.49 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 40.9 m -63.44 -42.22 98.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.391 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . 0.462 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -64.95 -37.51 87.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.864 -179.756 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . 0.462 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 6.5 m170 -70.43 -37.39 74.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.797 0.332 . . . . 0.0 111.43 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . 0.401 ' HE2' ' OD1' ' A' ' 665' ' ' ASN . 0.0 OUTLIER -57.25 -52.5 65.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.128 0.49 . . . . 0.0 111.226 -179.605 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.01 -10.08 57.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.105 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.435 ' CE2' ' HB3' ' B' 1105 ' ' PRO . 9.7 t-105 -45.09 -45.31 11.0 Favored 'General case' 0 CA--C 1.527 0.083 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.544 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.3 OUTLIER -52.89 -40.87 63.84 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.762 0.315 . . . . 0.0 111.281 -179.518 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . 0.459 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 42.1 mtmt -87.18 -47.9 8.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.414 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . 0.459 ' CE1' ' CB ' ' A' ' 680' ' ' ALA . 78.2 t60 -59.29 -41.52 89.13 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.546 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 3.4 p80 -54.59 -29.36 51.33 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . 0.546 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 72.8 m-70 -61.11 -31.56 71.25 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.464 -0.495 . . . . 0.0 109.689 178.118 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.7 mt -90.92 -54.75 7.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.737 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 N--CA 1.464 0.231 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -179.358 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 2.6 m-80 . . . . . 0 CA--C 1.529 0.138 0 CA-C-O 120.551 0.215 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B 1105 ' ' PRO . . . . . 0.46 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 32.6 Cg_endo -65.01 172.05 7.88 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.364 2.043 . . . . 0.0 112.354 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.62 170.02 21.24 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.668 2.245 . . . . 0.0 112.302 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.16 156.67 59.08 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.514 2.143 . . . . 0.0 112.315 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 45.6 mt -96.45 145.75 25.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1109 ' ' ILE . . . . . 0.524 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -115.62 123.01 70.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 78.6 p -83.47 128.42 34.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 66.5 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 662' ' ' SER . . . . . 0.448 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.837 0.351 . . . . 0.0 111.062 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 5.1 t -65.14 125.64 25.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.159 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.491 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.4 m0 -62.25 -20.94 64.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.563 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . 0.409 ' OD1' ' HE2' ' A' ' 690' ' ' LYS . 3.2 t30 -103.92 -61.99 1.36 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.574 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.516 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 58.8 m -54.69 -61.37 2.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.633 -179.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 102.66 24.08 8.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.289 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.24 -62.84 1.08 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.691 0.282 . . . . 0.0 110.932 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -161.23 152.71 19.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.96 0.41 . . . . 0.0 111.22 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -142.6 143.96 32.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.04 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.3 m -120.46 -5.11 9.83 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -109.67 158.51 18.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.867 0.365 . . . . 0.0 110.546 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 673' ' ' THR . . . . . 0.524 ' HB ' HG13 ' B' 1109 ' ' ILE . 86.8 m -133.87 139.51 46.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.585 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 42.4 t -68.2 106.57 2.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.209 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 84.3 p -67.85 -9.33 43.77 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -79.15 -45.23 9.06 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.451 -0.88 . . . . 0.0 112.423 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 19.2 p -111.64 -14.7 13.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.775 0.321 . . . . 0.0 111.087 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 3.2 m120 60.87 22.85 12.92 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.014 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 94.3 m -121.74 -36.97 2.94 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.491 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -73.93 154.37 39.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.971 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -138.29 141.31 39.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.417 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 91.7 m-85 -152.87 148.89 27.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.73 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 18.7 p -92.24 -18.81 22.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.264 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -151.92 152.26 24.03 Favored Glycine 0 C--N 1.334 0.465 0 C-N-CA 120.372 -0.918 . . . . 0.0 112.98 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 685' ' ' SER . . . . . 0.434 ' O ' ' HG3' ' A' ' 688' ' ' GLN . 4.3 t -53.0 -22.11 5.27 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.599 0.238 . . . . 0.0 111.55 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -75.96 -41.43 51.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.006 0.431 . . . . 0.0 110.15 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 18.4 m -63.08 -44.97 94.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.609 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . 0.456 ' OE1' ' CD2' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -61.73 -42.31 98.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.621 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . 0.456 ' CD2' ' OE1' ' A' ' 688' ' ' GLN . 1.9 m170 -69.05 -37.21 78.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.821 0.343 . . . . 0.0 111.209 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . 0.409 ' HE2' ' OD1' ' A' ' 665' ' ' ASN . 0.0 OUTLIER -57.25 -52.53 64.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.245 -179.605 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.98 -9.02 58.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.08 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.46 ' CE2' ' HB3' ' B' 1105 ' ' PRO . 8.3 t-105 -45.11 -44.54 10.59 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.527 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.7 OUTLIER -52.89 -42.07 64.96 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.816 0.341 . . . . 0.0 111.282 -179.362 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . 0.475 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 20.5 mtmm -87.32 -47.27 8.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.895 0.378 . . . . 0.0 111.254 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . 0.456 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 59.5 t60 -59.4 -40.03 85.33 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.549 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 3.8 p80 -54.26 -29.07 45.68 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -178.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . 0.549 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 65.2 m-70 -60.35 -32.2 71.03 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.481 178.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 3.1 pt -105.34 -3.76 9.78 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -178.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 120.955 0.407 . . . . 0.0 111.28 -179.226 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 15.6 m120 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.525 0.202 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B 1105 ' ' PRO . . . . . 0.473 ' HB3' ' CZ2' ' A' ' 692' ' ' TRP . 56.6 Cg_endo -70.91 159.27 53.08 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.513 2.142 . . . . 0.0 112.431 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -55.89 173.18 0.43 Allowed 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.617 2.211 . . . . 0.0 112.187 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -73.84 160.08 44.04 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.617 2.211 . . . . 0.0 112.645 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 7.0 mt -95.54 144.92 25.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.704 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1109 ' ' ILE . . . . . 0.522 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -114.77 122.87 69.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.978 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 53.2 p -90.32 129.9 36.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 93.3 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.824 0.345 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.496 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 6.2 t -68.24 125.78 27.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.012 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.47 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 16.1 m0 -63.39 -20.15 65.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.522 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -102.59 -62.82 1.22 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.503 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.496 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 65.6 m -55.39 -61.11 2.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.644 -179.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.22 22.58 10.45 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.352 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.77 -60.37 1.38 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.845 0.355 . . . . 0.0 110.819 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.41 152.98 12.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . 0.411 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -143.02 143.68 31.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.232 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.4 m -120.16 -5.07 9.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.687 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -109.69 157.61 18.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.878 0.37 . . . . 0.0 110.512 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 673' ' ' THR . . . . . 0.522 ' HB ' HG13 ' B' 1109 ' ' ILE . 65.7 m -131.8 139.42 48.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.45 -178.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 44.3 t -69.13 107.04 3.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.237 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 27.0 p -67.43 -10.24 49.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.017 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -74.39 -53.33 6.81 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.137 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.0 p -107.89 -10.56 15.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.687 0.279 . . . . 0.0 111.118 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 29.5 m120 60.29 23.81 13.25 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.096 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 97.3 m -122.64 -36.99 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.47 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -72.92 154.95 40.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.802 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -138.33 141.81 39.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.392 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . 0.433 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 90.6 m-85 -152.34 148.46 27.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.728 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 21.4 p -92.09 -19.44 22.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.21 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.5 149.96 21.9 Favored Glycine 0 C--N 1.334 0.434 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.538 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 1.4 p -47.81 -39.04 17.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.668 0.27 . . . . 0.0 111.4 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -64.34 -36.36 83.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 38.7 m -64.05 -44.07 93.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.882 0.373 . . . . 0.0 111.122 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . 0.521 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -62.9 -40.6 98.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.658 -179.835 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . 0.521 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 8.7 m170 -69.91 -37.02 75.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.359 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -52.23 66.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.124 0.488 . . . . 0.0 111.187 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.9 -9.81 57.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.0 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.473 ' CZ2' ' HB3' ' B' 1105 ' ' PRO . 7.8 t-105 -45.26 -44.86 11.59 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.62 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.55 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.5 OUTLIER -52.89 -41.58 64.5 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.796 0.331 . . . . 0.0 111.245 -179.55 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . 0.471 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 3.6 mtmm -87.07 -48.08 8.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.235 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . 0.45 ' CE1' ' HB3' ' A' ' 680' ' ' ALA . 69.0 t60 -57.54 -42.02 82.1 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -178.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.55 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 3.6 p80 -54.74 -29.09 52.73 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -178.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . 0.546 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 68.1 m-70 -61.06 -31.59 71.24 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.537 -0.465 . . . . 0.0 109.823 178.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.6 mt -92.58 -54.92 6.69 Favored 'Isoleucine or valine' 0 C--O 1.231 0.104 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.919 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.464 0.246 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -179.227 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 2.0 m120 . . . . . 0 CA--C 1.53 0.197 0 CA-C-O 120.474 0.178 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B 1105 ' ' PRO . . . . . 0.437 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 38.1 Cg_endo -66.75 157.88 58.92 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.385 2.056 . . . . 0.0 112.347 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.43 170.21 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.659 2.239 . . . . 0.0 112.219 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.67 158.71 54.98 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.587 2.192 . . . . 0.0 112.528 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 10.5 mt -96.59 145.95 25.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1109 ' ' ILE . . . . . 0.521 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -114.86 122.93 69.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.802 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.59 128.93 34.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.84 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 83.3 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.927 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 662' ' ' SER . . . . . 0.408 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.787 0.327 . . . . 0.0 110.95 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.509 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 7.4 t -66.82 125.88 27.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.032 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.461 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.3 m0 -62.28 -23.4 66.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.604 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -100.48 -62.49 1.23 Allowed 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.578 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.509 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 64.1 m -55.06 -61.23 2.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.592 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 102.08 24.09 8.73 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.401 -0.904 . . . . 0.0 112.377 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.71 -64.28 1.03 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 0.0 110.821 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -159.32 152.0 21.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.057 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . 0.413 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -142.19 143.47 32.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.141 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.7 m -120.27 -5.03 9.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.72 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -109.7 157.52 19.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.902 0.382 . . . . 0.0 110.416 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 673' ' ' THR . . . . . 0.521 ' HB ' HG13 ' B' 1109 ' ' ILE . 68.0 m -133.65 139.46 46.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.445 -178.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 42.8 t -67.88 106.08 2.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.19 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 22.8 p -67.44 -9.6 43.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.121 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -78.51 -46.53 8.76 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.409 -0.9 . . . . 0.0 112.432 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 17.9 p -110.89 -14.08 14.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.734 0.302 . . . . 0.0 111.106 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 60.73 22.52 12.45 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.953 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 94.7 m -121.49 -37.09 2.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.97 0.415 . . . . 0.0 111.985 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.461 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -74.14 154.11 39.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.987 -179.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 12.0 mmm-85 -138.32 141.63 39.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.449 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . 0.421 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 90.7 m-85 -152.41 148.88 27.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.792 0.329 . . . . 0.0 110.681 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . 0.413 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.0 p -92.92 -18.59 22.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.298 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.0 150.25 22.28 Favored Glycine 0 C--N 1.334 0.433 0 C-N-CA 120.189 -1.005 . . . . 0.0 112.869 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 10.9 p -50.05 -31.1 12.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.634 0.254 . . . . 0.0 111.559 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -73.09 -35.77 66.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.663 0.268 . . . . 0.0 110.648 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 35.5 m -63.45 -42.71 98.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.471 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -64.34 -37.79 88.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.937 -179.687 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . 0.465 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 7.6 m170 -70.37 -37.36 74.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.784 0.326 . . . . 0.0 111.496 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -52.4 65.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.113 0.482 . . . . 0.0 111.24 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.06 -9.92 57.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.104 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.437 ' CE2' ' HB3' ' B' 1105 ' ' PRO . 9.8 t-105 -45.49 -44.75 12.72 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.526 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.2 OUTLIER -52.86 -43.13 65.85 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.659 0.266 . . . . 0.0 111.489 -179.162 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . 0.482 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 14.1 ptpt -87.17 -45.01 11.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.831 0.348 . . . . 0.0 111.326 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . 0.456 ' CE1' ' HB1' ' A' ' 680' ' ' ALA . 62.8 t60 -61.14 -39.97 92.09 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -178.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.554 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 3.9 p80 -54.38 -29.04 47.23 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -178.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . 0.554 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 64.4 m-70 -60.25 -31.62 70.37 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.349 178.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 3.1 pt -105.53 -3.56 9.81 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -178.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . 0.407 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . 1.8 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.012 0.434 . . . . 0.0 111.359 -179.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 CA--C 1.529 0.152 0 CA-C-O 120.566 0.222 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B 1105 ' ' PRO . . . . . 0.44 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 39.3 Cg_endo -66.99 149.63 82.8 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.381 2.054 . . . . 0.0 112.371 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.11 171.26 0.39 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.545 2.163 . . . . 0.0 112.168 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.77 158.52 55.39 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.542 2.161 . . . . 0.0 112.453 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 14.1 mt -96.34 145.96 25.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.822 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1109 ' ' ILE . . . . . 0.523 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -115.07 122.89 70.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.888 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 2.0 p -85.26 128.74 34.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 662' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.804 0.335 . . . . 0.0 111.021 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.514 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 6.7 t -64.38 126.21 27.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.437 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.0 m0 -62.43 -21.88 65.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.576 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -101.97 -62.58 1.24 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.597 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.514 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 69.2 m -55.05 -61.46 2.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.612 -179.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.25 24.8 7.74 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.391 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -128.16 -65.48 0.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.837 0.351 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -157.04 152.1 26.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.095 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -141.93 143.31 33.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.07 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 26.2 t -120.54 -5.54 9.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.691 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -109.74 157.35 19.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.91 0.386 . . . . 0.0 110.443 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 673' ' ' THR . . . . . 0.523 ' HB ' HG13 ' B' 1109 ' ' ILE . 54.0 m -132.94 139.43 47.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.424 -178.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 42.3 t -67.96 106.04 2.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.204 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 16.9 p -66.89 -9.91 42.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 112.198 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -78.13 -46.88 8.82 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.369 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 18.6 p -110.87 -13.61 14.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.68 0.276 . . . . 0.0 111.087 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 16.4 m120 60.29 22.65 12.1 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.006 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 99.7 m -121.45 -36.81 3.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.975 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.45 ' HB1' ' CE1' ' A' ' 695' ' ' HIS . . . -74.03 153.99 39.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.891 -179.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -138.3 141.78 39.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.507 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . 0.427 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 91.5 m-85 -152.38 148.89 28.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.702 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 20.9 p -92.87 -17.96 23.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.448 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.82 149.71 21.68 Favored Glycine 0 C--N 1.334 0.44 0 C-N-CA 120.273 -0.965 . . . . 0.0 112.805 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 17.8 p -49.09 -34.4 13.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.688 0.28 . . . . 0.0 111.45 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -70.51 -35.1 73.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.75 0.31 . . . . 0.0 110.738 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 58.3 m -63.4 -42.55 98.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.479 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . 0.478 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -65.13 -37.92 88.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.966 -179.765 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . 0.478 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 6.7 m170 -70.32 -37.47 74.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.798 0.332 . . . . 0.0 111.289 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.39 -52.4 65.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.06 0.457 . . . . 0.0 111.115 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.98 -10.1 57.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.106 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.44 ' CE2' ' HB3' ' B' 1105 ' ' PRO . 10.1 t-105 -45.56 -43.13 11.74 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.508 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.5 OUTLIER -52.83 -47.74 67.48 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -178.83 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . 0.565 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 0.0 OUTLIER -86.85 -36.77 18.27 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.597 -179.463 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . 0.45 ' CE1' ' HB1' ' A' ' 680' ' ' ALA . 61.4 t60 -67.05 -39.4 86.9 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -178.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.568 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 4.6 p80 -54.43 -28.99 47.87 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -178.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . 0.568 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 64.1 m-70 -60.49 -30.71 69.87 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.37 178.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.9 pt -106.51 -3.55 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -178.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . 0.421 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . 1.8 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.359 . . . . 0.0 111.361 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 18.2 m120 . . . . . 0 CA--C 1.528 0.125 0 CA-C-O 120.616 0.245 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B 1105 ' ' PRO . . . . . 0.46 ' HB3' ' CD2' ' A' ' 692' ' ' TRP . 39.8 Cg_endo -68.14 152.19 76.47 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.432 2.088 . . . . 0.0 112.442 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.25 168.13 0.65 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.344 2.03 . . . . 0.0 111.898 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.52 163.32 38.89 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.47 2.113 . . . . 0.0 112.635 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 61.4 mt -98.89 147.8 24.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1109 ' ' ILE . . . . . 0.515 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.2 pt -115.72 122.89 70.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.85 130.85 34.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 77.9 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 -179.951 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 662' ' ' SER . . . . . 0.411 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.811 0.338 . . . . 0.0 111.045 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.47 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 6.9 t -65.29 126.57 28.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.012 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.44 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.6 m0 -64.56 -17.45 63.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.457 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -103.99 -63.39 1.2 Allowed 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.313 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.47 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 92.2 m -55.88 -61.63 2.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.494 -179.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.0 23.51 8.56 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.432 -0.889 . . . . 0.0 112.413 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.02 -62.4 1.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.856 0.36 . . . . 0.0 110.816 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -161.05 153.08 19.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.043 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . 0.419 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -142.1 143.33 33.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.099 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 2.0 t -119.54 -6.25 10.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.68 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -109.74 157.99 18.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.865 0.364 . . . . 0.0 110.365 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 673' ' ' THR . . . . . 0.515 ' HB ' HG13 ' B' 1109 ' ' ILE . 67.3 m -132.51 139.43 47.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.476 -178.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 43.6 t -67.98 105.66 2.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.212 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 97.2 p -66.41 -10.19 41.31 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.125 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -76.52 -49.31 8.21 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.457 -0.878 . . . . 0.0 112.346 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 23.0 p -109.92 -12.3 14.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.626 0.251 . . . . 0.0 111.102 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 2.8 m120 60.08 23.0 12.22 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.032 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 96.0 m -121.97 -37.12 2.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.918 0.389 . . . . 0.0 112.005 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.448 ' CB ' ' CE1' ' A' ' 695' ' ' HIS . . . -73.64 156.21 38.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.733 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 45.6 mmm-85 -138.17 142.11 40.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.434 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -151.99 146.95 25.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.785 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . 0.419 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 21.5 p -92.81 -18.64 22.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.377 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.86 150.45 22.52 Favored Glycine 0 C--N 1.334 0.446 0 C-N-CA 120.135 -1.031 . . . . 0.0 112.998 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 80.5 p -48.8 -33.48 10.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.646 0.26 . . . . 0.0 111.659 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -70.43 -35.09 73.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 110.457 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 14.6 m -64.1 -44.3 92.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.336 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . 0.517 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 1.5 pt20 -61.67 -42.98 99.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.734 0.302 . . . . 0.0 110.467 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . 0.517 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 17.9 m170 -70.45 -37.19 74.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.28 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.34 -52.34 65.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.329 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.7 -8.21 58.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.949 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.46 ' CD2' ' HB3' ' B' 1105 ' ' PRO . 7.4 t-105 -46.43 -42.93 15.98 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.714 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.516 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.4 OUTLIER -52.89 -47.85 67.59 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -178.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . 0.562 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 0.0 OUTLIER -86.74 -36.43 18.64 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.613 -179.346 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . 0.448 ' CE1' ' CB ' ' A' ' 680' ' ' ALA . 78.5 t60 -67.15 -40.04 86.64 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.047 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.555 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 4.4 p80 -54.78 -29.25 53.68 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -178.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . 0.562 ' CD2' ' HA ' ' A' ' 694' ' ' LYS . 62.6 m-70 -61.61 -32.05 72.15 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 120.411 -0.516 . . . . 0.0 109.695 178.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.6 mt -90.79 -55.2 6.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.8 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.0 t . . . . . 0 N--CA 1.465 0.276 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.411 -179.264 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 11.2 m-20 . . . . . 0 CA--C 1.529 0.173 0 CA-C-O 120.543 0.211 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B 1105 ' ' PRO . . . . . 0.44 ' HB3' ' CD2' ' A' ' 692' ' ' TRP . 44.0 Cg_endo -68.45 168.86 18.49 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.418 2.079 . . . . 0.0 112.41 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -69.6 171.86 13.53 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.671 2.248 . . . . 0.0 112.266 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.53 156.13 67.38 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.559 2.173 . . . . 0.0 112.476 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 16.3 mt -96.83 146.32 25.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.771 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1109 ' ' ILE . . . . . 0.526 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -114.92 122.98 70.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.866 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.47 129.65 34.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 24.6 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.978 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 662' ' ' SER . . . . . 0.43 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.783 0.325 . . . . 0.0 111.015 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.503 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 6.8 t -69.19 126.25 29.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.482 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.8 m0 -62.74 -23.47 67.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.586 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -100.15 -62.9 1.18 Allowed 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.611 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.503 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 64.2 m -54.53 -61.2 2.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.638 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.98 23.43 9.22 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.428 -0.891 . . . . 0.0 112.436 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -126.15 -63.65 1.09 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.695 0.283 . . . . 0.0 110.825 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -159.93 152.17 20.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.996 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . 0.414 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -142.21 143.45 32.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.21 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.76 -4.86 9.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.758 -179.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -109.68 156.86 19.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.804 0.335 . . . . 0.0 110.488 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 673' ' ' THR . . . . . 0.526 ' HB ' HG13 ' B' 1109 ' ' ILE . 68.1 m -133.38 139.51 46.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.535 -178.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 41.0 t -68.12 106.44 2.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.261 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 20.1 p -67.4 -9.39 41.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.233 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -79.09 -44.45 9.8 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.455 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 18.0 p -112.79 -14.45 13.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.683 0.277 . . . . 0.0 111.107 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 60.61 23.1 12.88 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.936 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 89.3 m -121.88 -37.05 2.91 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.482 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -73.92 154.43 39.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.9 -179.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -138.3 141.57 39.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.402 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . 0.439 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 89.9 m-85 -152.45 148.9 27.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.792 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . 0.414 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.0 p -93.47 -18.22 22.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.524 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.09 150.89 23.01 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.115 -1.041 . . . . 0.0 113.257 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 685' ' ' SER . . . . . 0.414 ' O ' ' HG3' ' A' ' 688' ' ' GLN . 2.3 p -51.78 -23.09 4.19 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.919 0.341 . . . . 0.0 111.919 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -80.95 -35.75 31.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.81 0.338 . . . . 0.0 110.657 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 19.1 m -63.61 -44.74 93.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.395 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . 0.459 ' OE1' ' CD2' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -62.0 -40.25 95.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.82 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . 0.459 ' CD2' ' OE1' ' A' ' 688' ' ' GLN . 8.2 m170 -69.63 -37.21 76.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.746 0.308 . . . . 0.0 111.205 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -52.41 65.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.015 0.436 . . . . 0.0 111.338 -179.478 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.11 -9.58 57.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.043 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.44 ' CD2' ' HB3' ' B' 1105 ' ' PRO . 9.5 t-105 -45.42 -44.27 11.96 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.523 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.8 OUTLIER -52.95 -43.29 66.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.665 0.269 . . . . 0.0 111.467 -179.079 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . 0.479 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 9.8 ptpt -87.04 -44.67 11.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.855 0.359 . . . . 0.0 111.305 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . 0.453 ' CE1' ' CB ' ' A' ' 680' ' ' ALA . 63.2 t60 -61.21 -40.13 92.8 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -178.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.551 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 3.8 p80 -54.27 -29.07 45.71 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -178.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . 0.551 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 63.5 m-70 -59.57 -31.33 69.34 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.497 178.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 695' ' ' HIS . 3.2 pt -105.41 -3.75 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -178.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.328 -0.365 0 CA-C-O 121.293 0.568 . . . . 0.0 110.94 -179.191 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 CA--C 1.529 0.16 0 CA-C-O 120.533 0.206 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B 1105 ' ' PRO . . . . . 0.44 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 41.0 Cg_endo -67.33 151.27 80.85 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.386 2.057 . . . . 0.0 112.352 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.82 169.92 0.33 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.571 2.181 . . . . 0.0 112.212 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.64 158.63 55.27 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.557 2.171 . . . . 0.0 112.483 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 46.5 mt -96.46 146.01 25.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1109 ' ' ILE . . . . . 0.51 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.2 pt -114.47 122.89 69.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.958 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.58 128.02 34.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.858 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 97.5 p . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 -179.953 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 662' ' ' SER . . . . . 0.453 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.936 0.398 . . . . 0.0 111.005 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.491 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 6.4 t -68.15 126.04 28.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.054 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.457 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.8 m0 -63.15 -20.83 65.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.509 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -102.03 -62.87 1.21 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.543 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.491 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 93.0 m -55.31 -60.87 2.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.596 -179.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 102.31 23.89 8.73 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.447 -0.882 . . . . 0.0 112.43 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.16 -63.91 1.07 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.73 0.3 . . . . 0.0 110.785 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -159.77 152.86 21.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.049 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . 0.418 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -142.0 143.24 33.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.115 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.25 -6.18 9.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.673 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -109.65 157.9 18.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.809 0.337 . . . . 0.0 110.458 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 673' ' ' THR . . . . . 0.51 ' HB ' HG13 ' B' 1109 ' ' ILE . 60.3 m -133.9 139.51 46.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.52 -178.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 43.3 t -66.83 103.96 1.24 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.048 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 58.8 p -64.83 -10.15 26.01 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.271 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -78.42 -44.27 11.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.408 -0.901 . . . . 0.0 112.455 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 19.6 p -113.57 -13.73 12.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.598 0.237 . . . . 0.0 111.303 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.8 m120 59.66 22.87 11.63 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.745 0.307 . . . . 0.0 110.941 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 97.3 m -121.31 -37.08 2.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.812 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.457 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -75.68 154.7 36.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.594 -179.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -138.27 141.8 39.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.59 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . 0.422 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 91.8 m-85 -152.35 148.52 27.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.698 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . 0.418 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.2 p -93.21 -18.07 22.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.477 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.85 149.93 21.92 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 120.196 -1.002 . . . . 0.0 112.901 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 1.4 p -48.88 -33.84 11.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.661 0.267 . . . . 0.0 111.596 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -70.92 -35.34 72.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.731 0.3 . . . . 0.0 110.642 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 31.0 m -63.31 -44.55 94.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.428 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . 0.471 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -64.52 -38.06 89.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.809 -179.728 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . 0.471 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 6.2 m170 -70.4 -37.41 74.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.876 0.369 . . . . 0.0 111.151 179.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -52.23 66.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.079 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.93 -10.17 57.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.042 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.44 ' CE2' ' HB3' ' B' 1105 ' ' PRO . 8.8 t-105 -45.7 -43.53 12.82 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.51 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.6 OUTLIER -52.66 -48.0 66.77 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -178.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . 0.566 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 0.0 OUTLIER -86.8 -36.22 18.67 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.617 -179.312 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . 0.437 ' CE1' ' HB1' ' A' ' 680' ' ' ALA . 71.6 t60 -67.67 -39.22 84.52 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.57 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 4.8 p80 -54.67 -28.97 51.19 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -179.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . 0.57 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 61.8 m-70 -61.73 -31.21 71.36 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.113 178.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 695' ' ' HIS . 0.1 OUTLIER -103.22 -4.33 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -178.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 121.009 0.433 . . . . 0.0 111.196 -179.344 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 CA--C 1.53 0.184 0 CA-C-O 120.432 0.158 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B 1105 ' ' PRO . . . . . 0.447 ' HG3' ' CD2' ' A' ' 692' ' ' TRP . 6.1 Cg_exo -77.44 175.74 10.92 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.592 2.195 . . . . 0.0 112.066 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.43 170.58 19.58 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.483 2.122 . . . . 0.0 112.165 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.37 155.03 64.79 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.513 2.142 . . . . 0.0 112.367 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 15.6 mt -96.11 145.3 25.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1109 ' ' ILE . . . . . 0.527 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -115.35 122.83 70.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 2.6 p -86.75 131.23 34.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.907 0.384 . . . . 0.0 110.99 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 31.1 p . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -179.954 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 662' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.797 0.332 . . . . 0.0 110.988 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.507 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 6.4 t -67.56 125.88 27.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.45 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.4 m0 -62.91 -20.0 64.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.508 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -103.32 -62.67 1.26 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.558 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.507 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 65.5 m -54.9 -61.14 2.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.535 -179.208 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 100.91 23.6 9.76 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.379 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -126.1 -58.94 1.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.779 0.323 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.1 OUTLIER -165.98 153.13 9.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.094 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . 0.421 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -143.8 144.46 31.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.185 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.6 m -120.9 -4.31 9.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.728 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 682' ' ' TYR . 1.0 OUTLIER -109.71 157.03 19.53 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.814 0.34 . . . . 0.0 110.47 179.746 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 673' ' ' THR . . . . . 0.527 ' HB ' HG13 ' B' 1109 ' ' ILE . 99.5 m -132.63 139.51 47.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.452 -178.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 44.8 t -68.74 107.51 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.286 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 54.0 p -68.29 -9.69 49.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.154 -0.475 . . . . 0.0 112.181 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -76.58 -49.57 7.93 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.236 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 24.2 p -109.79 -12.39 14.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.733 0.301 . . . . 0.0 111.074 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.8 m120 60.22 23.36 12.73 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.05 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 96.4 m -122.37 -36.87 2.88 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.454 ' CB ' ' CE1' ' A' ' 695' ' ' HIS . . . -73.56 154.4 39.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.74 -179.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -138.25 142.01 39.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.563 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . 0.414 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 91.8 m-85 -152.09 148.9 28.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.337 . . . . 0.0 110.734 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . 0.421 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 21.3 p -92.83 -18.91 22.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.479 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.34 149.33 21.28 Favored Glycine 0 C--N 1.335 0.492 0 C-N-CA 120.229 -0.986 . . . . 0.0 112.826 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 99.6 p -49.45 -34.05 15.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.682 0.277 . . . . 0.0 111.383 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -70.64 -34.85 72.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.672 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 62.9 m -63.62 -41.37 98.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.464 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . 0.475 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -63.74 -37.62 88.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.882 -179.746 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . 0.475 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 10.2 m170 -70.37 -37.43 74.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.82 0.343 . . . . 0.0 111.419 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -52.31 65.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.028 0.442 . . . . 0.0 111.152 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.04 -10.66 56.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.148 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.447 ' CD2' ' HG3' ' B' 1105 ' ' PRO . 9.5 t-105 -45.26 -45.4 11.94 Favored 'General case' 0 N--CA 1.461 0.101 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.53 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.0 OUTLIER -52.83 -42.69 65.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.7 0.286 . . . . 0.0 111.522 -179.157 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . 0.465 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 0.2 OUTLIER -87.01 -44.64 11.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.509 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . 0.454 ' CE1' ' CB ' ' A' ' 680' ' ' ALA . 75.0 t60 -61.46 -41.74 97.7 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -178.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.549 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 3.8 p80 -54.55 -29.39 50.85 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -178.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . 0.549 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 70.3 m-70 -60.81 -30.75 70.26 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 178.262 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.6 mt -92.66 -54.11 7.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.888 -178.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.464 0.269 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -179.226 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.598 0.237 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B 1105 ' ' PRO . . . . . 0.464 ' HB3' ' CD2' ' A' ' 692' ' ' TRP . 37.1 Cg_endo -66.96 160.8 45.4 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.419 2.08 . . . . 0.0 112.548 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1106 ' ' PRO . . . . . 0.407 ' HG2' ' HA3' ' A' ' 676' ' ' GLY . 52.9 Cg_exo -54.96 163.33 4.28 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.618 2.212 . . . . 0.0 111.864 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.68 164.72 34.79 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.426 2.084 . . . . 0.0 112.543 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 12.9 mt -100.18 148.44 24.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.04 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1109 ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 673' ' ' THR . 0.8 OUTLIER -116.0 123.2 71.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.75 179.697 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.43 130.6 35.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.005 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 77.9 p . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.987 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 662' ' ' SER . . . . . 0.447 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.743 0.306 . . . . 0.0 110.967 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.473 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 8.4 t -67.39 126.75 30.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.476 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.8 m0 -63.78 -20.02 65.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.669 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -102.67 -63.82 1.13 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.443 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.473 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 89.5 m -54.88 -60.52 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.585 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 100.98 23.98 9.41 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.398 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 17.6 mtp85 -125.49 -61.36 1.27 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.828 0.347 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -163.49 152.46 14.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.037 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . 0.424 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -142.44 143.62 32.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.177 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 11.5 m -119.89 -4.94 10.12 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.651 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -109.66 157.0 19.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.788 0.328 . . . . 0.0 110.392 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 673' ' ' THR . . . . . 0.505 ' O ' HG13 ' B' 1109 ' ' ILE . 48.7 m -132.91 139.6 47.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.493 -178.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 44.4 t -67.81 105.54 1.98 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.185 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 45.8 p -66.64 -9.46 36.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.193 -179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . 0.407 ' HA3' ' HG2' ' B' 1106 ' ' PRO . . . -77.39 -47.84 8.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.379 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 26.1 p -111.05 -13.04 14.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.718 0.294 . . . . 0.0 111.055 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 43.6 t30 60.19 24.42 13.76 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.116 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 63.9 m -122.8 -37.52 2.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.936 -179.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.476 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -73.66 156.06 38.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.789 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -138.23 141.84 39.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.451 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . 0.416 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 90.2 m-85 -152.22 146.84 25.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.637 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . 0.424 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 19.5 p -92.35 -19.79 21.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.249 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.06 150.39 22.43 Favored Glycine 0 C--N 1.334 0.472 0 C-N-CA 120.166 -1.016 . . . . 0.0 112.894 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 53.8 p -47.63 -37.59 12.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.672 0.272 . . . . 0.0 111.56 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -66.05 -35.08 79.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.805 0.336 . . . . 0.0 110.531 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 14.3 m -64.59 -45.48 86.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.234 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . 0.537 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 1.2 pt20 -61.88 -41.75 98.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.603 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . 0.537 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 18.7 m170 -70.61 -37.2 73.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.371 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -52.36 65.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.976 0.417 . . . . 0.0 111.517 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.75 -7.86 59.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.892 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.464 ' CD2' ' HB3' ' B' 1105 ' ' PRO . 6.2 t-105 -44.88 -45.01 10.05 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.505 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.555 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.0 OUTLIER -53.99 -38.39 65.02 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.593 0.235 . . . . 0.0 111.137 -179.561 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . 0.506 ' HG2' ' HG2' ' A' ' 693' ' ' GLU . 8.6 mmpt? -87.28 -49.39 7.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.971 0.415 . . . . 0.0 111.142 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . 0.452 ' CE1' ' HB3' ' A' ' 680' ' ' ALA . 40.2 t60 -57.35 -43.74 83.74 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.555 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 3.2 p80 -54.61 -29.02 50.67 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . 0.535 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 67.0 m-70 -60.18 -27.06 66.83 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.299 178.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -105.22 -49.21 9.17 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.957 -178.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 10.9 t . . . . . 0 N--CA 1.464 0.229 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -179.378 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 25.6 m-20 . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 120.559 0.219 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B 1105 ' ' PRO . . . . . 0.436 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 45.1 Cg_endo -68.49 157.27 62.52 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.482 2.121 . . . . 0.0 112.402 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -55.93 172.63 0.53 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.628 2.219 . . . . 0.0 112.19 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.49 160.84 45.79 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.663 2.242 . . . . 0.0 112.541 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 56.7 mt -96.98 146.66 24.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1109 ' ' ILE . . . . . 0.524 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -115.69 123.02 70.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.052 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 81.0 p -84.23 128.56 34.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.845 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 82.6 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 662' ' ' SER . . . . . 0.445 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.865 0.364 . . . . 0.0 111.053 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.534 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 5.0 t -67.21 125.77 27.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.083 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.47 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.3 m0 -62.87 -22.22 66.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.608 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . 0.408 ' OD1' ' HE2' ' A' ' 690' ' ' LYS . 3.3 t30 -101.8 -62.14 1.3 Allowed 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.518 -179.576 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.534 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 57.5 m -54.38 -61.45 2.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.529 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.17 24.34 8.02 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.348 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -128.56 -65.81 0.87 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.838 0.351 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -157.12 151.83 25.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.046 0.451 . . . . 0.0 111.22 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -141.99 143.69 33.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.019 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.59 -5.9 10.23 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -179.3 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -109.69 158.48 18.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.962 0.41 . . . . 0.0 110.513 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 673' ' ' THR . . . . . 0.524 ' HB ' HG13 ' B' 1109 ' ' ILE . 79.3 m -132.39 139.34 48.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.495 -178.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 39.0 t -67.97 106.02 2.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.208 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 59.8 p -66.57 -10.29 43.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.139 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -75.62 -49.49 9.01 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.267 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 27.8 p -111.31 -11.52 14.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.63 0.252 . . . . 0.0 111.28 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 12.2 m120 60.35 24.6 14.09 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.078 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 96.2 m -122.84 -37.35 2.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.33 -0.395 . . . . 0.0 112.04 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.47 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -74.13 154.69 39.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.789 -179.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -138.23 141.42 39.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.615 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . 0.449 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 92.9 m-85 -152.74 148.36 27.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.571 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 20.2 p -91.64 -18.49 23.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.289 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -152.12 152.23 23.98 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.934 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 685' ' ' SER . . . . . 0.435 ' O ' ' HG3' ' A' ' 688' ' ' GLN . 4.5 t -52.3 -22.84 4.9 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.641 0.258 . . . . 0.0 111.608 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -75.29 -41.15 57.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.045 0.45 . . . . 0.0 110.205 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . 0.4 ' HA ' ' ND2' ' A' ' 665' ' ' ASN . 18.3 m -63.56 -45.34 90.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.618 -179.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . 0.449 ' HA ' ' CZ ' ' A' ' 682' ' ' TYR . 0.0 OUTLIER -61.7 -43.69 98.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.716 0.293 . . . . 0.0 110.544 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . 0.439 ' CD2' ' OE1' ' A' ' 688' ' ' GLN . 4.8 m170 -68.57 -37.02 79.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.137 179.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . 0.408 ' HE2' ' OD1' ' A' ' 665' ' ' ASN . 0.0 OUTLIER -57.47 -52.34 65.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.239 -179.77 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.88 -9.7 57.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.02 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.436 ' CE2' ' HB3' ' B' 1105 ' ' PRO . 11.8 t-105 -45.45 -43.97 11.86 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.546 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.0 OUTLIER -52.91 -41.45 64.43 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.703 0.287 . . . . 0.0 111.313 -179.318 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . 0.446 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 36.6 mtmt -86.97 -47.79 8.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 0.0 111.229 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . 0.453 ' CE1' ' HB1' ' A' ' 680' ' ' ALA . 49.8 t60 -57.46 -43.75 84.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.327 -178.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.546 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 3.3 p80 -54.52 -29.14 49.73 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . 0.541 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 58.6 m-70 -60.32 -27.57 67.43 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.092 178.423 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -101.1 -51.17 9.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.773 -178.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 8.4 t . . . . . 0 N--CA 1.464 0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.246 -179.282 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 20.1 p-10 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.518 0.199 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B 1105 ' ' PRO . . . . . 0.436 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 53.7 Cg_endo -69.29 171.07 14.59 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.421 2.081 . . . . 0.0 112.388 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.16 171.14 15.46 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.618 2.212 . . . . 0.0 112.328 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.42 156.87 60.7 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.598 2.199 . . . . 0.0 112.459 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 15.8 mt -95.78 145.46 25.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1109 ' ' ILE . . . . . 0.533 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -114.87 122.93 69.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.949 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.71 129.75 35.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 87.3 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.949 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 662' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 2.2 t . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.942 0.401 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.512 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 7.1 t -70.34 126.49 29.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.095 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.469 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.1 m0 -63.52 -24.6 67.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.538 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -97.27 -62.58 1.23 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.376 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.512 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 99.4 m -56.17 -59.73 4.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.538 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.84 30.03 5.95 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.409 -0.901 . . . . 0.0 112.386 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -135.47 -71.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.776 0.322 . . . . 0.0 111.127 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 1.6 mmtp -148.34 146.6 28.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.009 0.433 . . . . 0.0 111.461 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . 0.425 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -139.6 142.45 37.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.944 179.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.25 -5.31 9.93 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.861 -179.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -109.69 156.93 19.63 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.815 0.34 . . . . 0.0 110.42 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 673' ' ' THR . . . . . 0.533 ' HB ' HG13 ' B' 1109 ' ' ILE . 66.9 m -132.55 139.48 47.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.562 -178.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 44.1 t -68.13 107.16 2.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.323 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 33.5 p -67.31 -9.31 39.72 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.134 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -77.79 -46.36 9.69 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.36 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 20.0 p -112.39 -13.41 13.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.59 0.233 . . . . 0.0 111.178 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 61.9 t30 60.08 24.15 13.38 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.794 0.33 . . . . 0.0 110.822 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 75.6 m -122.5 -37.4 2.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.969 -179.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.469 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -73.41 155.43 39.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.796 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -138.28 141.84 39.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.466 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . 0.43 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 90.0 m-85 -152.28 147.48 26.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.695 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . 0.425 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 19.6 p -92.73 -18.75 22.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.432 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.67 149.48 21.42 Favored Glycine 0 C--N 1.335 0.48 0 C-N-CA 120.201 -1.0 . . . . 0.0 112.867 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 2.3 p -48.67 -35.43 13.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.69 0.281 . . . . 0.0 111.413 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -69.68 -34.47 73.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.73 0.3 . . . . 0.0 110.606 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 59.2 m -63.96 -42.24 97.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.451 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . 0.478 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -65.35 -37.81 88.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.957 -179.796 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . 0.478 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 7.8 m170 -70.42 -37.29 74.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.747 0.308 . . . . 0.0 111.427 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -52.57 64.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.17 0.51 . . . . 0.0 111.217 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.05 -9.87 57.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.054 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.436 ' CE2' ' HB3' ' B' 1105 ' ' PRO . 10.2 t-105 -44.99 -44.74 10.13 Favored 'General case' 0 N--CA 1.461 0.095 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.543 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.3 OUTLIER -52.76 -41.52 64.14 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.728 0.299 . . . . 0.0 111.313 -179.363 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . 0.458 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 9.1 mtmt -87.18 -47.74 8.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.298 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 63.2 t60 -57.41 -43.72 83.99 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -178.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.543 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 3.1 p80 -54.59 -28.98 50.06 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . 0.534 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 56.4 m-70 -59.45 -27.0 65.69 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.082 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -103.28 -48.54 10.48 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.669 -179.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.7 t . . . . . 0 N--CA 1.464 0.252 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -179.614 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 CA--C 1.529 0.173 0 CA-C-O 120.515 0.198 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B 1105 ' ' PRO . . . . . 0.511 ' HB3' ' CD2' ' A' ' 692' ' ' TRP . 31.6 Cg_endo -65.85 166.7 19.6 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.383 2.055 . . . . 0.0 112.672 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1106 ' ' PRO . . . . . 0.408 ' HG2' ' HA3' ' A' ' 676' ' ' GLY . 16.4 Cg_exo -67.41 159.22 53.39 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.843 2.362 . . . . 0.0 111.773 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.85 163.09 39.62 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.373 2.048 . . . . 0.0 112.262 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 13.1 mt -99.33 147.13 25.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1109 ' ' ILE . . . . . 0.506 HG13 ' HB ' ' A' ' 673' ' ' THR . 0.7 OUTLIER -116.52 123.24 71.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.815 179.72 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 1.1 p -84.04 127.77 34.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.928 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 43.8 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 179.967 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 662' ' ' SER . . . . . 0.468 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 1.2 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.819 0.343 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.495 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 6.0 t -68.55 126.34 29.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.068 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.454 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.8 m0 -63.93 -22.15 66.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.56 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . 0.411 ' OD1' ' HE2' ' A' ' 690' ' ' LYS . 1.9 t30 -100.32 -63.49 1.13 Allowed 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.342 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.495 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 65.8 m -54.72 -61.27 2.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.59 -179.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 102.47 23.9 8.63 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.371 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 -126.69 -63.13 1.09 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.72 0.295 . . . . 0.0 110.842 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -161.02 152.47 19.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.062 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . 0.417 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -142.23 144.14 33.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.193 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -119.49 -5.71 10.29 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.818 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -109.68 158.58 17.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.851 0.357 . . . . 0.0 110.452 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 673' ' ' THR . . . . . 0.506 ' HB ' HG13 ' B' 1109 ' ' ILE . 50.4 m -133.52 139.63 46.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.627 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 41.1 t -67.43 105.46 1.81 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.139 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 90.8 p -67.24 -9.61 42.31 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -179.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . 0.408 ' HA3' ' HG2' ' B' 1106 ' ' PRO . . . -78.78 -46.11 8.8 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.383 -0.913 . . . . 0.0 112.374 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 21.2 p -110.83 -14.22 14.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.743 0.306 . . . . 0.0 111.005 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.8 m120 60.65 23.16 12.98 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.154 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 95.9 m -122.46 -37.01 2.84 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.454 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -74.51 155.35 38.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.837 -179.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -138.31 141.75 39.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.528 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . 0.413 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 94.4 m-85 -152.37 147.8 26.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.668 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . 0.417 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.6 p -91.88 -19.29 22.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.184 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -151.29 151.23 23.23 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.413 -0.899 . . . . 0.0 112.752 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.41 -33.67 14.47 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.817 0.341 . . . . 0.0 111.23 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -65.26 -40.79 94.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.934 0.397 . . . . 0.0 110.314 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 19.3 m -63.22 -44.52 95.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.508 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . 0.541 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 1.1 pt20 -61.79 -42.04 98.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.756 0.312 . . . . 0.0 110.534 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . 0.541 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 15.5 m170 -70.51 -37.3 74.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.374 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . 0.411 ' HE2' ' OD1' ' A' ' 665' ' ' ASN . 0.0 OUTLIER -57.29 -52.29 65.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.384 -179.499 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.7 -8.27 58.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.957 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.511 ' CD2' ' HB3' ' B' 1105 ' ' PRO . 6.7 t-105 -45.87 -44.95 14.82 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.765 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.544 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.5 OUTLIER -52.96 -41.33 64.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.761 0.315 . . . . 0.0 111.258 -179.448 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . 0.471 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 10.9 mtmt -87.21 -47.75 8.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.265 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . 0.452 ' CE1' ' CB ' ' A' ' 680' ' ' ALA . 74.7 t60 -59.08 -40.93 86.77 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -178.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.544 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 3.7 p80 -54.71 -29.36 53.01 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -178.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . 0.542 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 68.8 m-70 -61.42 -32.27 72.22 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 120.452 -0.499 . . . . 0.0 109.77 178.293 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.6 mt -91.67 -54.78 6.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.001 -178.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.9 t . . . . . 0 N--CA 1.465 0.314 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -179.301 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 3.3 m-80 . . . . . 0 CA--C 1.529 0.165 0 CA-C-O 120.576 0.227 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B 1105 ' ' PRO . . . . . 0.432 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 40.6 Cg_endo -67.21 152.07 80.14 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.304 2.003 . . . . 0.0 112.226 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.95 171.0 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.527 2.151 . . . . 0.0 112.282 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.48 159.68 50.69 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.587 2.192 . . . . 0.0 112.533 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 88.4 mt -96.4 146.13 25.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1109 ' ' ILE . . . . . 0.52 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -115.71 122.9 70.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.999 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.82 130.45 34.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.95 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 84.6 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.93 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 662' ' ' SER . . . . . 0.436 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.855 0.36 . . . . 0.0 111.002 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.512 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 5.4 t -69.31 125.91 28.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.438 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.9 m0 -63.74 -20.92 66.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.49 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -102.17 -62.95 1.2 Allowed 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.44 -179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.512 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 59.4 m -54.23 -61.88 2.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.527 -179.343 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.34 22.29 9.26 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.374 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -125.55 -64.93 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.748 0.309 . . . . 0.0 110.769 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -158.65 152.65 23.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.077 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . 0.403 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -141.48 143.09 33.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.103 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.02 -6.11 10.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.782 -179.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -109.69 157.09 19.45 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.868 0.366 . . . . 0.0 110.378 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 673' ' ' THR . . . . . 0.52 ' HB ' HG13 ' B' 1109 ' ' ILE . 78.4 m -131.51 139.39 49.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.574 -178.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 38.7 t -68.43 106.65 2.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.234 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 24.9 p -67.05 -9.96 44.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.112 -179.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -76.45 -48.95 8.6 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.27 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 21.5 p -110.68 -12.34 14.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.588 0.233 . . . . 0.0 111.15 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.6 m120 59.84 23.32 12.3 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.014 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 97.2 m -122.35 -37.08 2.85 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.455 ' CB ' ' CE1' ' A' ' 695' ' ' HIS . . . -73.96 155.02 39.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.641 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -138.28 141.79 39.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.694 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 91.7 m-85 -152.51 148.53 27.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.749 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . 0.403 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 22.4 p -92.79 -18.22 23.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.312 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -151.54 150.87 22.86 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.396 -0.906 . . . . 0.0 112.75 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 2.5 p -49.03 -33.82 12.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.84 0.352 . . . . 0.0 111.379 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -66.42 -40.42 89.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.921 0.391 . . . . 0.0 110.522 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 19.8 m -62.86 -45.66 91.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.767 -179.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . 0.501 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -62.78 -39.28 93.73 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.726 -179.815 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . 0.501 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 8.0 m170 -70.44 -37.52 74.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.874 0.369 . . . . 0.0 111.068 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -52.15 66.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.132 0.491 . . . . 0.0 111.03 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.82 -10.35 57.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.983 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.432 ' CE2' ' HB3' ' B' 1105 ' ' PRO . 8.8 t-105 -45.86 -43.55 13.66 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.649 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.513 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.4 OUTLIER -52.78 -47.97 67.15 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -178.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . 0.57 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 0.0 OUTLIER -86.74 -35.95 18.92 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.669 -179.319 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . 0.455 ' CE1' ' CB ' ' A' ' 680' ' ' ALA . 78.6 t60 -67.44 -40.39 85.45 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -179.049 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.556 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 4.5 p80 -54.72 -29.28 53.0 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -178.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . 0.57 ' CD2' ' HA ' ' A' ' 694' ' ' LYS . 62.1 m-70 -61.23 -32.14 71.93 Favored 'General case' 0 C--O 1.231 0.121 0 C-N-CA 120.367 -0.533 . . . . 0.0 109.613 178.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.9 mt -88.93 -55.83 5.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.633 -179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 N--CA 1.464 0.246 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.476 -179.246 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 8.9 p30 . . . . . 0 CA--C 1.528 0.134 0 CA-C-O 120.413 0.149 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B 1105 ' ' PRO . . . . . 0.449 ' HG3' ' CE2' ' A' ' 692' ' ' TRP . 5.6 Cg_exo -75.95 173.68 14.09 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.494 2.129 . . . . 0.0 112.115 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -73.6 170.71 19.33 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.548 2.166 . . . . 0.0 112.224 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.32 154.98 65.06 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.544 2.163 . . . . 0.0 112.307 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 12.2 mt -96.22 145.57 25.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1109 ' ' ILE . . . . . 0.522 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -115.53 122.93 70.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.802 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.16 131.19 35.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.842 0.353 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 13.4 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.959 179.962 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 662' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.841 0.353 . . . . 0.0 110.999 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.511 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 6.9 t -67.22 126.3 28.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.968 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.462 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.7 m0 -63.41 -21.36 66.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.577 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -101.62 -62.8 1.21 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.418 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.511 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 65.0 m -55.1 -60.99 2.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.592 -179.315 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.82 23.57 9.22 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.446 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -126.28 -64.07 1.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.82 0.343 . . . . 0.0 110.773 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -159.76 152.25 21.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.116 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . 0.421 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -142.5 143.46 32.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.176 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 30.8 m -120.49 -4.82 9.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.672 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -109.66 155.99 20.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.879 0.371 . . . . 0.0 110.417 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 673' ' ' THR . . . . . 0.522 ' HB ' HG13 ' B' 1109 ' ' ILE . 56.3 m -131.44 139.36 49.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.478 -178.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 39.6 t -68.93 107.02 2.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.322 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 54.7 p -67.38 -9.61 43.13 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.123 -0.49 . . . . 0.0 112.139 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -76.37 -49.25 8.42 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.437 -0.887 . . . . 0.0 112.361 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 26.3 p -110.44 -12.22 14.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.665 0.269 . . . . 0.0 111.127 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 4.2 m120 60.16 23.94 13.26 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 120.781 0.324 . . . . 0.0 111.133 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 98.6 m -122.59 -37.11 2.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.93 0.395 . . . . 0.0 112.022 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.462 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -73.47 155.33 39.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.885 -179.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 41.5 mmm-85 -138.31 141.81 39.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.508 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . 0.416 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 91.2 m-85 -152.08 148.16 27.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.608 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . 0.421 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.8 p -92.97 -19.14 21.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.409 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.13 149.12 21.06 Favored Glycine 0 C--N 1.333 0.39 0 C-N-CA 120.139 -1.029 . . . . 0.0 112.813 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 20.0 p -49.07 -34.22 13.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.662 0.267 . . . . 0.0 111.362 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -70.23 -35.48 73.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.54 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 58.7 m -62.88 -42.17 99.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.44 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . 0.48 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -63.37 -37.63 88.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.931 -179.746 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . 0.48 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 10.4 m170 -70.46 -37.54 74.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.866 0.365 . . . . 0.0 111.561 179.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -52.26 66.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.061 0.458 . . . . 0.0 111.295 -179.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.09 -10.67 56.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.083 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.449 ' CE2' ' HG3' ' B' 1105 ' ' PRO . 8.5 t-105 -44.2 -46.46 8.92 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.559 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.1 OUTLIER -53.94 -37.82 64.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.643 0.259 . . . . 0.0 110.984 -179.696 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . 0.497 ' HG2' ' HG2' ' A' ' 693' ' ' GLU . 0.2 OUTLIER -87.25 -50.6 6.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.016 0.436 . . . . 0.0 111.163 179.551 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . 0.443 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 65.0 t60 -57.59 -43.14 84.41 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -178.343 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.559 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 3.1 p80 -54.38 -29.23 47.91 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . 0.537 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 72.9 m-70 -60.99 -30.41 70.26 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 178.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.5 mt -94.79 -53.93 7.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.906 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.463 0.217 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -179.289 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 13.0 m120 . . . . . 0 CA--C 1.528 0.134 0 CA-C-O 120.526 0.203 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B 1105 ' ' PRO . . . . . 0.454 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 39.3 Cg_endo -67.14 148.35 80.79 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.401 2.067 . . . . 0.0 112.372 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.15 170.69 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.569 2.179 . . . . 0.0 112.159 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.54 160.35 49.78 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.553 2.169 . . . . 0.0 112.471 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 17.6 mt -97.15 146.43 25.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1109 ' ' ILE . . . . . 0.521 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.2 pt -114.46 122.91 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.833 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.15 127.62 34.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.932 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 75.4 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.913 179.912 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 662' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.908 0.385 . . . . 0.0 110.968 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.499 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 7.8 t -69.74 126.48 29.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.111 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.474 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.3 m0 -63.03 -23.5 67.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.62 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . 0.406 ' OD1' ' HE2' ' A' ' 690' ' ' LYS . 4.1 t30 -99.78 -62.87 1.18 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.537 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.499 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.5 m -54.91 -60.48 3.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.545 -179.217 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.54 23.87 9.18 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.459 -0.877 . . . . 0.0 112.446 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.8 -65.14 0.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.807 0.336 . . . . 0.0 110.824 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -158.04 151.51 23.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . 0.42 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -142.01 143.36 33.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.236 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.4 p -120.62 -5.39 9.74 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.733 -179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -109.67 157.35 19.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.909 0.385 . . . . 0.0 110.344 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 673' ' ' THR . . . . . 0.521 ' HB ' HG13 ' B' 1109 ' ' ILE . 71.1 m -134.37 139.55 45.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.583 -178.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 44.1 t -66.41 103.79 1.1 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.113 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 82.9 p -65.04 -10.1 27.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.154 -0.475 . . . . 0.0 112.156 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -78.49 -43.6 12.21 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.437 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 23.2 p -114.12 -14.07 12.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.701 0.286 . . . . 0.0 111.372 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.7 m120 60.14 23.69 12.99 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.091 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 78.6 m -121.96 -37.64 2.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.911 0.386 . . . . 0.0 111.984 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.474 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -75.04 155.11 37.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.74 -179.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -138.15 141.75 40.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.537 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . 0.446 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 89.6 m-85 -152.49 148.65 27.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.659 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . 0.42 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.0 p -93.51 -18.94 21.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.392 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.57 150.38 22.46 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.164 -1.017 . . . . 0.0 113.144 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 685' ' ' SER . . . . . 0.4 ' O ' ' HG3' ' A' ' 688' ' ' GLN . 4.6 p -51.12 -23.84 3.54 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -179.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -79.52 -35.66 39.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.358 . . . . 0.0 110.54 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 16.6 m -64.19 -45.58 87.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.228 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . 0.447 ' OE1' ' CD2' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -61.71 -42.49 99.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.767 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . 0.447 ' CD2' ' OE1' ' A' ' 688' ' ' GLN . 1.7 m170 -68.84 -36.94 78.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.288 179.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . 0.406 ' HE2' ' OD1' ' A' ' 665' ' ' ASN . 0.0 OUTLIER -57.29 -52.37 65.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.012 0.434 . . . . 0.0 111.252 -179.625 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.98 -9.83 57.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.112 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.454 ' CE2' ' HB3' ' B' 1105 ' ' PRO . 10.5 t-105 -45.59 -44.19 12.77 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.54 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.7 OUTLIER -52.9 -41.67 64.6 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.733 0.301 . . . . 0.0 111.343 -179.342 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . 0.464 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 50.1 mtmt -87.13 -47.68 8.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.932 0.396 . . . . 0.0 111.283 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . 0.446 ' CE1' ' HB3' ' A' ' 680' ' ' ALA . 55.2 t60 -57.4 -42.84 83.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.392 -178.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.549 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 3.7 p80 -54.71 -28.83 50.77 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -178.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . 0.549 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 65.1 m-70 -61.29 -24.87 66.72 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.46 178.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.32 -6.02 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -178.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.326 -0.433 0 CA-C-O 120.84 0.352 . . . . 0.0 111.057 -179.667 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 28.4 m-80 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.515 0.197 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B 1105 ' ' PRO . . . . . 0.421 ' HB3' ' CD2' ' A' ' 692' ' ' TRP . 49.5 Cg_endo -69.04 152.64 73.03 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.438 2.092 . . . . 0.0 112.348 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.16 168.86 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.525 2.15 . . . . 0.0 112.205 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.78 159.37 53.64 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.577 2.185 . . . . 0.0 112.418 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 7.1 mp -96.23 145.88 25.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.751 179.907 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B 1109 ' ' ILE . . . . . 0.533 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -115.98 123.01 70.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.02 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.95 128.11 34.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 81.8 p . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.984 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 662' ' ' SER . . . . . 0.455 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 1.4 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.779 0.323 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.5 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 5.8 t -66.82 125.89 27.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -179.749 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.456 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.6 m0 -63.69 -20.09 65.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.381 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -102.05 -63.01 1.19 Allowed 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.487 -179.533 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.5 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 81.9 m -55.66 -60.8 2.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.642 -179.36 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.22 25.03 8.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.442 -0.885 . . . . 0.0 112.362 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -127.55 -60.06 1.19 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.895 0.378 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.5 OUTLIER -164.49 152.99 12.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . 0.422 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -143.4 144.28 31.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.131 179.865 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.15 -4.32 10.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.721 -179.722 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -109.62 158.07 18.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.898 0.38 . . . . 0.0 110.429 179.723 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 673' ' ' THR . . . . . 0.533 ' HB ' HG13 ' B' 1109 ' ' ILE . 79.4 m -133.01 139.28 47.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.436 -178.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 44.6 t -68.84 107.33 3.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.319 179.62 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 24.8 p -67.81 -9.92 48.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.152 -179.528 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -75.49 -50.72 7.91 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.197 179.894 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 26.7 p -109.92 -11.41 14.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.655 0.264 . . . . 0.0 111.127 179.543 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 7.1 m120 60.31 24.09 13.55 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.081 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 91.7 m -122.53 -37.12 2.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.033 -179.169 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.456 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -72.56 155.53 39.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.879 -179.367 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -138.4 142.0 39.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.493 179.503 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . 0.431 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 89.2 m-85 -152.06 147.59 26.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 110.815 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . 0.422 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 19.8 p -92.3 -19.31 22.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.065 179.839 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.25 149.49 21.38 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 120.415 -0.897 . . . . 0.0 112.58 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 84.8 p -47.58 -39.0 15.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.743 0.306 . . . . 0.0 111.345 -179.799 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -64.14 -35.98 82.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.756 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 17.2 m -64.01 -42.66 97.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.877 0.37 . . . . 0.0 110.883 -179.715 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . 0.431 ' HA ' ' CZ ' ' A' ' 682' ' ' TYR . 0.0 OUTLIER -61.69 -44.8 96.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.174 -179.951 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -68.56 -37.16 79.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.46 -179.86 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -52.44 65.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.051 0.453 . . . . 0.0 111.281 -179.547 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.08 -9.44 57.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.013 179.644 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.432 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 11.4 t-105 -45.75 -44.37 13.76 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.435 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.541 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.0 OUTLIER -52.83 -41.71 64.46 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.723 0.297 . . . . 0.0 111.345 -179.322 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . 0.461 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 22.2 mtmt -87.08 -47.45 8.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.365 . . . . 0.0 111.357 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . 0.44 ' CE1' ' HB1' ' A' ' 680' ' ' ALA . 71.7 t60 -58.58 -42.3 87.73 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.459 0.541 . . . . 0.0 112.459 -178.711 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.544 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 3.4 p80 -54.62 -29.12 51.16 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.907 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . 0.544 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 66.8 m-70 -60.78 -30.42 70.03 Favored 'General case' 0 C--O 1.231 0.13 0 C-N-CA 120.516 -0.473 . . . . 0.0 109.759 178.125 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.2 mt -94.0 -54.0 7.74 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.798 -178.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.9 t . . . . . 0 N--CA 1.463 0.224 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.248 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 21.4 m-80 . . . . . 0 CA--C 1.529 0.161 0 CA-C-O 120.515 0.198 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B 1105 ' ' PRO . . . . . 0.488 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 30.9 Cg_endo -65.56 172.33 8.14 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.402 2.068 . . . . 0.0 112.498 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B 1106 ' ' PRO . . . . . 0.405 ' HG3' ' HA3' ' A' ' 676' ' ' GLY . 60.0 Cg_endo -71.99 162.87 40.55 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.547 2.165 . . . . 0.0 111.889 179.463 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.67 163.64 38.27 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.353 2.036 . . . . 0.0 112.488 -179.84 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 18.5 mt -99.85 148.18 24.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.026 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B 1109 ' ' ILE . . . . . 0.519 HG13 ' HB ' ' A' ' 673' ' ' THR . 0.8 OUTLIER -115.89 123.13 70.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.797 179.757 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 1.5 p -80.71 128.77 34.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 57.0 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.947 179.972 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 662' ' ' SER . . . . . 0.455 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.832 0.349 . . . . 0.0 110.988 . . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.508 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 8.7 t -67.58 127.12 31.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.974 -179.872 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.469 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.2 m0 -63.4 -23.31 67.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.521 -179.785 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -99.47 -63.0 1.16 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.481 -179.469 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.508 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 90.2 m -54.92 -61.06 2.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.479 -179.414 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.55 24.83 8.5 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.357 -0.925 . . . . 0.0 112.523 -179.9 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 1.1 mmt-85 -127.58 -62.33 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.747 0.308 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -161.35 152.5 18.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.925 0.393 . . . . 0.0 111.103 179.954 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . 0.425 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -143.32 144.18 31.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.111 179.807 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.74 -5.28 10.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.674 -179.592 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -109.71 158.53 18.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.836 0.35 . . . . 0.0 110.403 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 673' ' ' THR . . . . . 0.519 ' HB ' HG13 ' B' 1109 ' ' ILE . 78.5 m -135.45 139.55 44.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.546 -178.894 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 45.4 t -65.95 102.63 0.81 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.172 179.536 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 84.3 p -64.74 -10.17 25.59 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.208 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . 0.405 ' HA3' ' HG3' ' B' 1106 ' ' PRO . . . -78.94 -44.0 10.49 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.459 -0.877 . . . . 0.0 112.45 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 22.2 p -112.61 -14.22 13.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.717 0.294 . . . . 0.0 111.166 179.781 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 60.55 23.43 13.13 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.09 -179.828 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 68.0 m -121.86 -37.75 2.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.93 0.395 . . . . 0.0 112.01 -179.168 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.469 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -74.97 156.03 36.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.861 -179.321 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 30.0 mmm-85 -138.24 141.87 39.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.333 179.477 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . 0.422 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 88.5 m-85 -152.21 147.22 26.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.66 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . 0.425 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 19.2 p -92.49 -19.9 21.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.242 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.82 150.24 22.28 Favored Glycine 0 C--N 1.333 0.411 0 C-N-CA 120.275 -0.964 . . . . 0.0 112.836 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 685' ' ' SER . . . . . 0.404 ' O ' ' HG2' ' A' ' 688' ' ' GLN . 93.1 p -46.85 -40.13 13.32 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.741 0.305 . . . . 0.0 111.515 -179.73 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -63.87 -34.56 78.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.749 0.309 . . . . 0.0 110.518 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 14.2 m -64.99 -46.31 81.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.116 -179.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . 0.534 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 1.2 pt20 -61.93 -41.43 97.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.593 -179.845 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . 0.534 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 18.5 m170 -70.63 -37.07 73.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.467 179.706 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -52.47 65.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.018 0.437 . . . . 0.0 111.507 -179.368 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -84.85 -8.43 58.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.029 179.835 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.488 ' CE2' ' HB3' ' B' 1105 ' ' PRO . 7.2 t-105 -45.41 -44.71 12.28 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -179.456 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.536 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.1 OUTLIER -53.02 -41.41 64.67 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.754 0.311 . . . . 0.0 111.337 -179.418 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . 0.467 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 41.1 mtmt -87.16 -47.75 8.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.211 -179.899 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . 0.455 ' CE1' ' HB3' ' A' ' 680' ' ' ALA . 53.0 t60 -57.47 -42.04 81.82 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -178.559 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.556 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 4.2 p80 -54.66 -28.85 50.25 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.927 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . 0.556 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 70.7 m-70 -61.67 -24.98 67.11 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.574 178.527 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.72 -6.33 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -178.366 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.325 -0.458 0 CA-C-O 120.858 0.361 . . . . 0.0 111.058 -179.653 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B 1104 ' ' ASN . . . . . 0.427 ' HA ' ' HD3' ' B' 1105 ' ' PRO . 79.2 m-20 . . . . . 0 CA--C 1.528 0.126 0 CA-C-O 120.42 0.152 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B 1105 ' ' PRO . . . . . 0.445 ' HG3' ' CD1' ' A' ' 692' ' ' TRP . 6.2 Cg_exo -76.64 171.03 18.76 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.519 2.146 . . . . 0.0 112.273 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.02 170.32 20.32 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.603 2.202 . . . . 0.0 112.144 179.83 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.83 155.67 61.96 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.483 2.122 . . . . 0.0 112.433 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 31.6 mt -95.62 145.41 25.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.787 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B 1109 ' ' ILE . . . . . 0.525 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -114.74 122.89 69.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.925 179.756 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 39.0 p -87.44 128.88 35.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 51.4 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.979 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 662' ' ' SER . . . . . 0.407 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.791 0.329 . . . . 0.0 110.931 . . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.543 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 7.7 t -68.23 126.86 30.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 -179.8 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.485 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.0 m0 -62.56 -26.66 68.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.495 -179.894 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -96.53 -62.77 1.22 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.517 -179.374 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.543 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 63.8 m -54.68 -61.0 2.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.508 -179.344 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.19 24.77 7.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.373 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.76 -70.23 0.65 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.797 0.332 . . . . 0.0 110.935 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 11.6 mmtp -150.75 149.75 30.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.07 0.462 . . . . 0.0 111.357 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . 0.408 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -141.67 143.41 33.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.89 179.615 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.77 -4.32 9.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.768 -179.497 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.73 157.26 19.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.906 0.384 . . . . 0.0 110.421 179.849 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 673' ' ' THR . . . . . 0.525 ' HB ' HG13 ' B' 1109 ' ' ILE . 58.4 m -133.52 139.49 46.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.484 -178.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 40.7 t -68.36 107.21 2.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.271 179.482 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 83.8 p -68.16 -9.42 46.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 112.219 -179.273 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -79.05 -45.03 9.27 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.452 -0.88 . . . . 0.0 112.412 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 17.4 p -111.95 -14.3 13.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.712 0.292 . . . . 0.0 111.053 179.755 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 3.1 m120 60.82 22.65 12.68 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.973 -179.809 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 100.0 m -122.04 -36.74 2.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.918 0.39 . . . . 0.0 111.991 -179.121 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.485 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -74.18 154.0 39.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.057 -179.266 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -138.31 141.78 39.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.396 179.457 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . 0.419 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 91.0 m-85 -152.32 148.99 28.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.779 0.323 . . . . 0.0 110.721 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . 0.408 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.7 p -92.64 -18.58 22.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.33 -179.86 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.55 149.93 21.86 Favored Glycine 0 C--N 1.334 0.433 0 C-N-CA 120.25 -0.976 . . . . 0.0 112.734 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 8.9 p -48.0 -39.27 19.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.742 0.306 . . . . 0.0 111.44 -179.778 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -66.21 -34.36 77.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.768 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 67.0 m -63.76 -41.9 97.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.685 0.279 . . . . 0.0 111.395 -179.372 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . 0.493 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -65.29 -36.91 85.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.959 -179.691 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . 0.493 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 8.8 m170 -70.59 -37.36 73.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.621 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -52.38 65.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.041 0.448 . . . . 0.0 111.394 -179.432 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.14 -10.33 56.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.182 179.808 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.445 ' CD1' ' HG3' ' B' 1105 ' ' PRO . 9.7 t-105 -44.68 -45.16 9.58 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.361 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.525 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.3 OUTLIER -53.0 -41.2 64.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.708 0.289 . . . . 0.0 111.3 -179.284 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . 0.474 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 32.0 mtmt -87.3 -47.84 8.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.975 0.416 . . . . 0.0 111.318 179.839 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . 0.453 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 60.6 t60 -59.23 -40.7 86.71 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -178.452 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.551 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 3.7 p80 -54.24 -29.12 45.47 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -178.533 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . 0.551 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 68.2 m-70 -59.98 -30.42 69.1 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.436 178.586 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 3.3 pt -106.61 -3.44 9.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -178.532 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 121.083 0.468 . . . . 0.0 110.858 -179.175 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 29.0 m120 . . . . . 0 CA--C 1.529 0.144 0 CA-C-O 120.543 0.211 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B 1105 ' ' PRO . . . . . 0.438 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 41.8 Cg_endo -67.58 148.78 79.03 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.432 2.088 . . . . 0.0 112.286 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.4 170.86 0.48 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.485 2.123 . . . . 0.0 112.223 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.91 158.8 54.49 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.521 2.148 . . . . 0.0 112.422 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 8.5 mt -96.05 145.36 25.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B 1109 ' ' ILE . . . . . 0.527 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -115.62 122.93 70.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.886 179.86 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.68 129.66 34.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 21.5 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.99 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.865 0.364 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.541 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 5.6 t -70.42 126.08 28.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.202 -179.778 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.453 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.3 m0 -63.33 -25.56 68.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.375 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -96.36 -62.65 1.24 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.435 -179.468 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.541 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.2 m -55.4 -60.94 2.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.445 -179.325 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.82 24.29 7.8 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.41 -0.9 . . . . 0.0 112.428 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -129.31 -73.99 0.56 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.767 0.318 . . . . 0.0 110.849 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -146.56 149.18 33.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.034 0.445 . . . . 0.0 111.478 -179.836 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . 0.413 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -140.42 142.57 35.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.989 179.537 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.7 m -120.54 -5.14 9.79 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.785 -179.519 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -109.67 156.99 19.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.926 0.393 . . . . 0.0 110.465 179.844 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 673' ' ' THR . . . . . 0.527 ' HB ' HG13 ' B' 1109 ' ' ILE . 88.4 m -132.17 139.4 48.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.456 -178.94 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 39.5 t -69.16 107.29 3.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.345 179.558 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 20.7 p -67.32 -9.76 44.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.16 -179.385 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -75.99 -49.85 8.28 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.3 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 25.7 p -110.32 -11.8 14.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.713 0.292 . . . . 0.0 111.136 179.537 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 60.24 23.63 13.02 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.984 -179.895 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 94.0 m -122.39 -36.76 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.871 0.367 . . . . 0.0 111.948 -179.208 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.455 ' CB ' ' CE1' ' A' ' 695' ' ' HIS . . . -73.18 154.13 40.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.784 -179.407 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -138.27 141.95 39.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.539 179.617 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . 0.421 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 91.6 m-85 -152.22 149.3 28.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.799 0.333 . . . . 0.0 110.672 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . 0.413 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 21.1 p -93.29 -19.03 21.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.425 -179.818 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.23 149.22 21.16 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 120.246 -0.978 . . . . 0.0 112.8 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 1.8 p -47.33 -40.02 16.24 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.7 0.286 . . . . 0.0 111.423 -179.853 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -66.2 -33.62 76.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.72 179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 68.0 m -63.74 -43.02 97.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.522 -179.399 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . 0.484 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -65.4 -37.44 86.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.824 -179.716 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . 0.484 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 8.5 m170 -70.4 -37.24 74.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 0.0 111.319 179.789 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -52.18 66.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.089 0.471 . . . . 0.0 111.109 -179.609 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.99 -10.0 57.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.04 179.747 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.438 ' CE2' ' HB3' ' B' 1105 ' ' PRO . 9.2 t-105 -45.73 -44.62 13.86 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 111.782 0.289 . . . . 0.0 111.782 -179.497 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.536 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.1 OUTLIER -52.82 -43.1 65.72 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.622 0.249 . . . . 0.0 111.487 -179.216 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . 0.469 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 11.0 ptpt -87.0 -44.7 11.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.383 -179.758 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . 0.455 ' CE1' ' CB ' ' A' ' 680' ' ' ALA . 77.1 t60 -60.75 -41.86 96.25 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -178.791 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.548 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 3.9 p80 -54.59 -29.27 51.1 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -178.837 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . 0.548 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 66.6 m-70 -60.45 -31.12 70.12 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.097 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.7 mt -92.14 -53.98 7.96 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.782 -179.036 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 N--CA 1.464 0.263 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.254 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 CA--C 1.529 0.143 0 CA-C-O 120.481 0.182 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B 1105 ' ' PRO . . . . . 0.458 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 40.8 Cg_endo -68.4 149.4 74.99 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.361 2.041 . . . . 0.0 112.462 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B 1106 ' ' PRO . . . . . 0.41 ' HG2' ' HA3' ' A' ' 676' ' ' GLY . 53.8 Cg_exo -52.42 168.02 0.48 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.541 2.161 . . . . 0.0 111.931 179.668 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -74.04 164.57 34.1 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.454 2.103 . . . . 0.0 112.635 -179.727 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.63 147.03 25.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.196 -179.787 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B 1109 ' ' ILE . . . . . 0.523 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -116.31 123.04 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.638 179.481 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 2.7 p -84.17 131.51 34.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.851 0.358 . . . . 0.0 110.997 -179.839 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 46.9 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.959 179.974 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.891 0.377 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 663' ' ' CYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 6.9 t -65.67 126.66 29.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.041 -179.772 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 664' ' ' TRP . . . . . 0.457 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.1 m0 -63.79 -22.12 66.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.335 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -98.77 -63.34 1.13 Allowed 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.271 -179.644 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.506 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 84.2 m -55.62 -61.07 2.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.526 -179.383 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 104.06 25.78 6.97 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.37 -0.919 . . . . 0.0 112.452 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 15.0 ttt85 -130.87 -71.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.664 0.269 . . . . 0.0 111.006 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -149.2 150.14 32.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.036 0.446 . . . . 0.0 111.473 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 670' ' ' ALA . . . . . 0.422 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -141.49 143.06 33.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.952 179.543 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.36 -5.6 10.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.75 -179.482 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -109.76 158.96 17.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.785 0.326 . . . . 0.0 110.43 179.873 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 673' ' ' THR . . . . . 0.523 ' HB ' HG13 ' B' 1109 ' ' ILE . 58.5 m -133.62 139.45 46.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.497 -178.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 43.7 t -68.11 106.37 2.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.255 179.507 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 86.7 p -67.12 -9.9 44.5 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.111 -179.352 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 676' ' ' GLY . . . . . 0.41 ' HA3' ' HG2' ' B' 1106 ' ' PRO . . . -76.08 -50.27 7.82 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.394 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 25.6 p -109.24 -11.8 14.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.645 0.26 . . . . 0.0 111.125 179.411 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.7 m120 60.41 23.62 13.19 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.075 -179.887 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 98.3 m -122.67 -36.78 2.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.962 0.41 . . . . 0.0 112.021 -179.235 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 680' ' ' ALA . . . . . 0.457 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -73.56 155.39 39.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.847 -179.46 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -138.31 141.94 39.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.376 179.482 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -152.09 147.6 26.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.707 -179.918 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . 0.422 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.4 p -92.81 -18.91 22.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.347 -179.85 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.66 150.94 23.02 Favored Glycine 0 C--N 1.335 0.495 0 C-N-CA 120.138 -1.029 . . . . 0.0 112.948 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 685' ' ' SER . . . . . 0.421 ' O ' ' HG2' ' A' ' 688' ' ' GLN . 25.8 p -48.47 -36.05 14.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.724 0.297 . . . . 0.0 111.635 -179.754 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -67.75 -34.56 77.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.849 0.357 . . . . 0.0 110.476 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 15.2 m -64.69 -45.32 87.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.319 -179.769 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 688' ' ' GLN . . . . . 0.501 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 1.8 pt20 -61.89 -42.11 98.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.578 -179.859 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 689' ' ' HIS . . . . . 0.501 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 15.4 m170 -70.5 -37.26 74.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.331 179.643 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -52.47 65.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.311 -179.508 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.74 -8.31 58.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.943 179.769 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 692' ' ' TRP . . . . . 0.465 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 7.0 t-105 -45.77 -44.15 13.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.753 -179.532 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . 0.54 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.1 OUTLIER -53.06 -41.63 65.01 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.767 0.318 . . . . 0.0 111.359 -179.481 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 694' ' ' LYS . . . . . 0.473 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 22.0 mtmm -87.02 -47.6 8.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.917 0.389 . . . . 0.0 111.344 -179.889 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 695' ' ' HIS . . . . . 0.45 ' CE1' ' CB ' ' A' ' 680' ' ' ALA . 72.8 t60 -59.12 -41.0 87.17 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -178.595 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 696' ' ' HIS . . . . . 0.546 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 3.6 p80 -54.72 -29.4 53.24 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -178.585 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 697' ' ' HIS . . . . . 0.546 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 69.4 m-70 -61.66 -31.69 71.81 Favored 'General case' 0 C--N 1.333 -0.111 0 C-N-CA 120.431 -0.508 . . . . 0.0 109.865 178.396 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.7 mt -92.22 -54.97 6.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.983 -178.81 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.2 t . . . . . 0 N--CA 1.464 0.263 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 -179.243 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.889 0.376 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 1102 ' ' ILE . . . . . . . . . . . . . 21.4 mt -137.45 160.56 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.951 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1103 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.42 -173.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -103.36 113.56 65.61 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1105 ' ' PRO . . . . . 0.437 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 44.9 Cg_endo -68.16 155.64 68.73 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.46 2.107 . . . . 0.0 112.282 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -52.07 168.77 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.576 2.184 . . . . 0.0 112.282 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.02 158.35 56.89 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.538 2.159 . . . . 0.0 112.475 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 12.1 mt -97.26 145.98 25.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1109 ' ' ILE . . . . . 0.516 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -113.93 122.92 69.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.95 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.3 127.57 38.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.84 0.352 . . . . 0.0 110.824 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 36.9 t -113.29 145.94 40.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.475 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -175.89 132.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 7.7 mmmm . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.797 179.96 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 10.4 t70 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.845 0.355 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.4 m -171.49 -43.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 25.0 p -97.49 -32.24 11.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.982 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -92.65 91.41 7.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 662' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -174.19 133.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.496 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 5.9 t -66.3 125.79 26.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.441 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.4 m0 -63.64 -20.99 66.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.505 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -101.35 -63.6 1.13 Allowed 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.357 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.496 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.1 m -55.06 -61.36 2.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.543 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.4 23.95 8.14 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.42 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -127.22 -65.79 0.92 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.725 0.297 . . . . 0.0 110.837 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -157.0 151.97 26.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.14 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . 0.433 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -141.35 143.05 33.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.128 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 16.0 p -119.78 -6.12 10.13 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.694 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 682' ' ' TYR . 4.8 mm-40 -109.68 157.88 18.65 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.887 0.375 . . . . 0.0 110.347 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 673' ' ' THR . . . . . 0.516 ' HB ' HG13 ' B' 1109 ' ' ILE . 53.6 m -132.36 139.55 48.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.499 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 41.4 t -68.78 106.09 2.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.239 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 24.7 p -66.41 -9.85 37.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.182 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -75.67 -50.94 7.54 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.455 -0.878 . . . . 0.0 112.275 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 24.4 p -108.92 -11.75 14.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.714 0.293 . . . . 0.0 111.127 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 59.86 23.59 12.59 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.927 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 95.8 m -122.26 -37.05 2.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.981 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.458 ' CB ' ' CE1' ' A' ' 695' ' ' HIS . . . -73.91 155.41 38.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.769 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 16.0 mmm-85 -138.32 141.73 39.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.482 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . 0.427 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 91.2 m-85 -152.3 148.45 27.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.565 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . 0.433 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.3 p -93.37 -18.02 22.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.446 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.37 150.07 22.04 Favored Glycine 0 C--N 1.334 0.452 0 C-N-CA 120.186 -1.006 . . . . 0.0 112.998 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.65 -32.12 12.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.634 0.254 . . . . 0.0 111.519 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -72.48 -35.55 68.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.765 0.317 . . . . 0.0 110.618 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 35.8 m -63.03 -42.93 99.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.429 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . 0.463 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -65.02 -37.7 88.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.87 -179.742 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . 0.463 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 5.6 m170 -70.31 -37.89 74.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.801 0.334 . . . . 0.0 111.357 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -52.3 65.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.87 -10.24 57.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.144 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.44 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 8.8 t-105 -44.95 -45.19 10.34 Favored 'General case' 0 N--CA 1.461 0.113 0 N-CA-C 111.857 0.318 . . . . 0.0 111.857 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.544 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.4 OUTLIER -52.86 -41.12 64.0 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.788 0.328 . . . . 0.0 111.413 -179.496 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . 0.455 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 16.3 mtmt -87.14 -47.7 8.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.39 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . 0.458 ' CE1' ' CB ' ' A' ' 680' ' ' ALA . 75.6 t60 -59.0 -42.09 89.22 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.547 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 3.5 p80 -54.63 -29.3 51.76 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . 0.547 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 70.6 m-70 -60.71 -30.73 70.13 Favored 'General case' 0 C--N 1.334 -0.067 0 C-N-CA 120.495 -0.482 . . . . 0.0 109.721 178.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.5 mt -93.56 -53.74 8.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.816 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.4 t -37.52 149.69 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 90.47 -19.94 40.92 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.997 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 61.78 167.54 0.11 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.788 0.328 . . . . 0.0 110.849 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 2.5 m 60.11 97.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 1.6 mp -63.91 148.08 50.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -74.52 99.54 3.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -136.74 -62.29 0.65 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.037 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -92.34 118.19 30.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.793 0.33 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 1102 ' ' ILE . . . . . . . . . . . . . 21.1 mt -147.78 159.8 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1103 ' ' SER . . . . . . . . . . . . . 3.2 t -69.88 -172.39 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -99.32 115.23 65.84 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1105 ' ' PRO . . . . . 0.45 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 37.9 Cg_endo -66.52 171.18 11.04 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.458 2.106 . . . . 0.0 112.348 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -73.73 170.59 19.67 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.685 2.257 . . . . 0.0 112.369 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.67 156.27 61.28 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.559 2.173 . . . . 0.0 112.397 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 16.1 mt -96.26 145.75 25.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.781 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1109 ' ' ILE . . . . . 0.523 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -115.46 122.92 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.006 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.87 127.76 35.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 20.2 p -123.11 116.22 23.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -162.15 90.39 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 8.0 mmtp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.901 0.381 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 93.9 p -67.41 82.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 68.4 p -105.77 123.77 48.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.6 112.77 24.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.83 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 662' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -169.69 132.73 1.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.993 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.505 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 5.7 t -68.47 125.46 26.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.035 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.448 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.6 m0 -63.48 -20.32 65.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.481 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -102.37 -62.5 1.26 Allowed 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.455 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.505 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.7 m -55.71 -60.25 3.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.64 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 102.43 19.17 14.51 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.464 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -121.39 -66.44 1.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.784 0.326 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -157.43 152.61 25.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.157 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . 0.424 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -142.09 143.22 32.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.135 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 3.2 m -120.75 -4.91 9.69 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.753 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -109.75 156.42 20.33 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.815 0.34 . . . . 0.0 110.379 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 673' ' ' THR . . . . . 0.523 ' HB ' HG13 ' B' 1109 ' ' ILE . 52.5 m -131.21 139.52 49.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.55 -178.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 41.3 t -69.34 107.72 3.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.233 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 83.0 p -67.73 -9.84 47.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.108 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -76.28 -49.21 8.56 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.311 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 25.6 p -110.7 -12.19 14.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.618 0.247 . . . . 0.0 111.075 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 3.2 m120 59.99 23.87 13.02 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.996 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 97.4 m -122.59 -37.02 2.83 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.455 ' CB ' ' CE1' ' A' ' 695' ' ' HIS . . . -73.07 155.27 39.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.759 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -138.2 141.81 40.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.544 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . 0.424 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 90.5 m-85 -152.34 148.07 27.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.612 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . 0.424 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.8 p -92.66 -18.96 22.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.409 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -148.92 148.7 20.35 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 120.214 -0.993 . . . . 0.0 112.746 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 7.1 t -49.25 -33.45 12.81 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.711 0.291 . . . . 0.0 111.355 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -70.7 -35.39 72.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.805 0.336 . . . . 0.0 110.516 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 58.5 m -63.1 -42.24 99.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.406 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . 0.48 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -64.99 -37.14 86.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.853 -179.741 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . 0.48 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 8.5 m170 -70.47 -37.4 74.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.783 0.325 . . . . 0.0 111.396 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -52.36 65.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.132 0.491 . . . . 0.0 111.211 -179.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.06 -10.11 57.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.101 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.45 ' CE2' ' HB3' ' B' 1105 ' ' PRO . 9.1 t-105 -45.18 -45.56 11.62 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.564 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.2 OUTLIER -53.03 -40.47 63.94 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.737 0.303 . . . . 0.0 111.193 -179.331 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . 0.507 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 43.6 mtmt -87.09 -48.22 8.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.897 0.379 . . . . 0.0 111.321 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . 0.455 ' CE1' ' CB ' ' A' ' 680' ' ' ALA . 75.4 t60 -58.13 -41.59 84.02 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -178.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.564 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 3.1 p80 -54.63 -29.45 52.11 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -178.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . 0.545 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 62.3 m-70 -60.85 -31.85 71.28 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.389 -0.525 . . . . 0.0 109.768 178.268 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.8 mt -91.12 -54.6 7.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.872 -178.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.5 t -36.95 156.07 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 62.45 34.71 90.23 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.58 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -124.66 114.69 19.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.876 0.369 . . . . 0.0 110.821 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 4.4 t -132.02 176.81 8.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 2.0 mt -98.56 168.0 10.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -95.01 -30.64 14.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -161.7 152.87 18.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.126 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -157.67 161.16 38.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.846 -179.949 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.889 0.376 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 1102 ' ' ILE . . . . . 0.418 HG22 ' CD2' ' A' ' 696' ' ' HIS . 3.0 mt -72.53 160.25 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.009 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1103 ' ' SER . . . . . . . . . . . . . 8.6 t -55.71 -176.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.028 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -92.63 109.21 37.18 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.957 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1105 ' ' PRO . . . . . 0.477 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 29.3 Cg_endo -64.89 171.97 7.85 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.382 2.055 . . . . 0.0 112.363 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1106 ' ' PRO . . . . . 0.407 ' HG3' ' HA3' ' A' ' 676' ' ' GLY . 59.3 Cg_endo -71.87 163.58 38.4 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.647 2.231 . . . . 0.0 111.89 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 161.29 46.49 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.38 2.053 . . . . 0.0 112.362 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 10.3 mt -99.63 148.14 24.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.048 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1109 ' ' ILE . . . . . 0.512 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.0 OUTLIER -115.29 123.16 70.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.785 179.814 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.45 129.64 34.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.021 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 46.4 p -125.09 109.61 13.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -165.95 160.87 17.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.056 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.53 0.174 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.63 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.819 0.342 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.6 m -98.44 33.21 2.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 1.2 m -143.24 125.0 15.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 61.79 80.73 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.041 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 662' ' ' SER . . . . . 0.419 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -176.97 135.17 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.846 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.529 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 6.0 t -69.26 126.55 30.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.219 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.476 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.1 m0 -63.17 -26.28 68.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.522 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . 0.41 ' OD1' ' HE2' ' A' ' 690' ' ' LYS . 1.7 t30 -96.97 -62.68 1.22 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.4 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.529 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 64.1 m -54.9 -60.63 3.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.492 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.13 22.77 8.97 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.347 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.46 -72.36 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.695 0.283 . . . . 0.0 110.852 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 8.1 mmtt -150.12 150.17 31.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.079 0.466 . . . . 0.0 111.373 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . 0.416 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -140.72 143.08 34.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.987 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 26.1 t -118.79 -6.1 10.6 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -109.72 159.92 16.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.8 0.333 . . . . 0.0 110.493 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 673' ' ' THR . . . . . 0.512 ' HB ' HG13 ' B' 1109 ' ' ILE . 52.9 m -135.02 139.74 45.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.592 -178.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 45.5 t -66.8 104.53 1.35 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.169 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 86.4 p -66.73 -9.77 40.0 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . 0.407 ' HA3' ' HG3' ' B' 1106 ' ' PRO . . . -79.32 -45.5 8.75 Favored Glycine 0 C--N 1.33 0.22 0 C-N-CA 120.432 -0.89 . . . . 0.0 112.523 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 12.5 p -110.1 -14.63 14.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.806 0.336 . . . . 0.0 110.959 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 4.6 m120 60.85 22.16 12.26 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.057 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 79.0 m -121.85 -37.1 2.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.909 0.385 . . . . 0.0 111.982 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.476 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -73.99 155.41 38.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.933 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -138.34 141.42 39.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.343 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . 0.418 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 95.2 m-85 -152.57 147.62 26.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.827 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . 0.416 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 18.7 p -91.76 -19.84 22.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.167 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -152.26 152.39 24.11 Favored Glycine 0 C--N 1.334 0.471 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.838 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 685' ' ' SER . . . . . 0.417 ' O ' ' HG2' ' A' ' 688' ' ' GLN . 83.5 p -49.69 -33.12 14.92 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.808 0.337 . . . . 0.0 111.324 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -65.03 -41.39 95.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.952 0.406 . . . . 0.0 110.241 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 21.1 m -63.61 -45.09 91.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.469 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . 0.466 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 1.7 pt20 -61.82 -42.89 99.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.742 0.306 . . . . 0.0 110.562 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . 0.466 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 17.9 m170 -70.37 -37.29 74.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.392 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . 0.41 ' HE2' ' OD1' ' A' ' 665' ' ' ASN . 0.0 OUTLIER -57.32 -52.58 64.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.006 0.432 . . . . 0.0 111.423 -179.302 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.85 -8.41 58.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.044 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.477 ' CE2' ' HB3' ' B' 1105 ' ' PRO . 7.6 t-105 -45.44 -44.63 12.33 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.535 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.6 OUTLIER -52.99 -41.82 64.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.791 0.329 . . . . 0.0 111.328 -179.489 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . 0.47 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 12.5 mtmm -87.3 -47.74 8.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.042 0.449 . . . . 0.0 111.099 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . 0.469 ' CE1' ' CB ' ' A' ' 680' ' ' ALA . 60.3 t60 -58.8 -40.19 83.35 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -178.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.541 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 3.7 p80 -54.39 -28.82 46.04 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -178.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . 0.541 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 65.5 m-70 -60.29 -32.22 70.99 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.588 178.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.2 pt -106.59 -3.74 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -178.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 1.8 t -62.68 101.58 0.27 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.938 0.399 . . . . 0.0 111.271 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -48.33 -26.36 4.86 Favored Glycine 0 CA--C 1.519 0.296 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.827 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -55.07 101.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 111.054 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 68.9 m -134.98 111.86 10.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.821 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.75 -36.1 5.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -85.07 57.4 4.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -149.5 139.91 22.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -107.87 -67.44 0.96 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 90.4 m . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.802 0.334 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B 1102 ' ' ILE . . . . . . . . . . . . . 16.7 mt -146.54 158.79 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1103 ' ' SER . . . . . . . . . . . . . 34.4 m -71.66 174.76 6.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.999 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1104 ' ' ASN . . . . . 0.46 ' HA ' ' HD3' ' B' 1105 ' ' PRO . 12.5 m-20 -86.8 127.29 60.6 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.689 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1105 ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' B' 1104 ' ' ASN . 2.3 Cg_endo -82.95 151.75 14.33 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.564 2.176 . . . . 0.0 112.092 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -52.1 168.53 0.37 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.523 2.149 . . . . 0.0 112.166 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -69.43 160.67 48.89 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.603 2.202 . . . . 0.0 112.45 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 19.8 mt -97.44 146.91 24.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1109 ' ' ILE . . . . . 0.513 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.1 pt -114.22 122.93 69.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.933 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 4.8 p -84.12 133.61 34.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 47.4 p -126.99 121.77 32.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -167.6 154.69 8.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 4.2 mttp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.969 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.799 0.333 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.4 m -59.5 -35.34 73.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 1.3 t -113.63 159.36 19.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -157.85 112.35 2.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.955 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 662' ' ' SER . . . . . 0.42 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 13.2 p -175.95 138.28 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.52 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 8.0 t -69.36 127.14 31.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.053 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.482 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.5 m0 -63.17 -26.69 68.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.553 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -96.46 -62.62 1.24 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.52 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.52 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 69.7 m -55.07 -60.55 3.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.48 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 102.79 24.85 7.9 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -129.22 -70.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.64 0.257 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 11.2 mmtp -150.8 149.35 29.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.017 0.437 . . . . 0.0 111.423 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . 0.434 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -140.49 142.83 35.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.961 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 6.9 m -119.67 -5.53 10.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.735 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -109.68 159.14 17.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.877 0.37 . . . . 0.0 110.446 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 673' ' ' THR . . . . . 0.513 ' HB ' HG13 ' B' 1109 ' ' ILE . 86.0 m -135.49 139.55 44.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.511 -178.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 41.8 t -66.44 103.56 1.07 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.126 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 79.3 p -65.2 -10.06 28.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.184 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -78.54 -43.96 11.54 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.429 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 22.7 p -113.49 -14.14 12.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.662 0.268 . . . . 0.0 111.267 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 60.48 23.49 13.13 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.049 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 80.3 m -122.08 -37.45 2.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.916 0.388 . . . . 0.0 111.933 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.482 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -75.19 155.21 37.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.819 -179.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -138.3 141.79 39.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.5 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 90.0 m-85 -152.32 148.02 27.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.6 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . 0.434 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 19.7 p -92.85 -18.27 23.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.458 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.37 150.9 23.0 Favored Glycine 0 C--N 1.334 0.444 0 C-N-CA 120.155 -1.021 . . . . 0.0 113.258 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 685' ' ' SER . . . . . 0.409 ' O ' ' HG3' ' A' ' 688' ' ' GLN . 19.0 p -51.8 -22.78 3.94 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . 0.406 ' CE2' ' SG ' ' A' ' 687' ' ' CYS . 38.0 p90 -81.32 -34.72 31.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.77 0.319 . . . . 0.0 110.566 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . 0.406 ' SG ' ' CE2' ' A' ' 686' ' ' PHE . 16.3 m -64.27 -43.89 93.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.252 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . 0.453 ' OE1' ' CD2' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -61.62 -42.36 98.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.732 -179.842 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . 0.453 ' CD2' ' OE1' ' A' ' 688' ' ' GLN . 1.4 m170 -68.63 -37.15 79.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.482 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -52.38 65.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.064 0.459 . . . . 0.0 111.225 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.24 -10.31 56.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.054 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.434 ' CE2' ' HG3' ' B' 1105 ' ' PRO . 11.7 t-105 -45.41 -44.18 11.83 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.535 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.2 OUTLIER -52.96 -41.52 64.62 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.657 0.265 . . . . 0.0 111.392 -179.291 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . 0.462 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 3.9 mtmm -87.13 -47.68 8.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.911 0.386 . . . . 0.0 111.232 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . 0.449 ' CE1' ' HB3' ' A' ' 680' ' ' ALA . 57.1 t60 -57.41 -43.09 83.44 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.551 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 4.0 p80 -54.55 -28.79 48.23 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -178.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . 0.551 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 65.7 m-70 -60.97 -24.99 66.52 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.391 178.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.33 -6.04 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -178.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 2.1 t -69.73 133.65 47.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.865 0.364 . . . . 0.0 111.012 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 62.25 26.64 68.01 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.518 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -167.3 89.52 0.33 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.838 0.351 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.16 175.65 5.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 4.3 tp -160.04 -45.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -135.3 149.18 49.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -100.59 119.75 39.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.02 -45.08 1.73 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.931 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 14.4 p . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.851 0.358 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B 1102 ' ' ILE . . . . . . . . . . . . . 22.8 mt -140.41 159.61 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1103 ' ' SER . . . . . . . . . . . . . 2.7 t -63.33 171.97 2.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -87.45 118.59 70.06 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.817 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1105 ' ' PRO . . . . . 0.435 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 37.7 Cg_endo -65.97 171.66 9.65 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.401 2.067 . . . . 0.0 112.404 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.94 170.91 17.71 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.701 2.267 . . . . 0.0 112.319 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.65 156.57 60.77 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.61 2.206 . . . . 0.0 112.395 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 20.4 mt -96.44 145.83 25.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.803 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1109 ' ' ILE . . . . . 0.519 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -116.08 122.99 70.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 36.4 p -81.49 129.7 34.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 61.1 p -127.12 112.03 14.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -134.45 85.48 2.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 16.0 mtmt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.791 0.329 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 2.2 m -98.66 36.31 1.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 50.5 m -86.6 130.37 34.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 61.24 111.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 662' ' ' SER . . . . . 0.463 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.3 OUTLIER -173.56 128.56 0.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.046 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.498 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 5.7 t -65.95 125.82 26.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.006 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.464 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.9 m0 -63.14 -20.16 65.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.48 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . 0.401 ' OD1' ' HE2' ' A' ' 690' ' ' LYS . 2.7 t30 -103.22 -62.67 1.26 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.457 -179.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.498 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.7 m -55.44 -60.43 3.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.645 -179.122 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.55 23.46 9.46 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.437 -0.887 . . . . 0.0 112.405 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.42 -62.01 1.23 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.748 0.309 . . . . 0.0 110.838 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -163.12 153.17 15.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.104 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . 0.413 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -142.46 143.86 32.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.175 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 60.7 m -120.64 -4.89 9.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.672 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -109.66 157.99 18.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.822 0.344 . . . . 0.0 110.454 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 673' ' ' THR . . . . . 0.519 ' HB ' HG13 ' B' 1109 ' ' ILE . 61.9 m -133.22 139.46 47.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.569 -178.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 39.1 t -68.94 106.94 2.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.165 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 85.4 p -67.12 -9.73 42.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.16 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -76.49 -48.75 8.8 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.473 -0.87 . . . . 0.0 112.303 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 25.1 p -110.99 -12.39 14.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.632 0.253 . . . . 0.0 111.166 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.4 m120 60.17 23.68 13.0 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.75 0.31 . . . . 0.0 110.965 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 97.2 m -122.28 -37.06 2.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.927 0.394 . . . . 0.0 112.013 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.464 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -73.58 154.78 39.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.721 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -138.28 141.73 39.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.521 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . 0.426 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 91.0 m-85 -152.36 148.52 27.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.695 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . 0.413 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.0 p -93.0 -18.55 22.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.409 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.55 149.32 21.25 Favored Glycine 0 C--N 1.334 0.417 0 C-N-CA 120.237 -0.982 . . . . 0.0 112.887 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 8.6 t -50.12 -30.66 11.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.709 0.29 . . . . 0.0 111.534 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -73.42 -35.46 65.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.759 0.314 . . . . 0.0 110.49 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 40.9 m -63.44 -42.22 98.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.391 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . 0.462 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -64.95 -37.51 87.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.864 -179.756 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . 0.462 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 6.5 m170 -70.43 -37.39 74.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.797 0.332 . . . . 0.0 111.43 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . 0.401 ' HE2' ' OD1' ' A' ' 665' ' ' ASN . 0.0 OUTLIER -57.25 -52.5 65.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.128 0.49 . . . . 0.0 111.226 -179.605 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.01 -10.08 57.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.105 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.435 ' CE2' ' HB3' ' B' 1105 ' ' PRO . 9.7 t-105 -45.09 -45.31 11.0 Favored 'General case' 0 CA--C 1.527 0.083 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.544 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.3 OUTLIER -52.89 -40.87 63.84 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.762 0.315 . . . . 0.0 111.281 -179.518 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . 0.459 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 42.1 mtmt -87.18 -47.9 8.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.414 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . 0.459 ' CE1' ' CB ' ' A' ' 680' ' ' ALA . 78.2 t60 -59.29 -41.52 89.13 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.546 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 3.4 p80 -54.59 -29.36 51.33 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . 0.546 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 72.8 m-70 -61.11 -31.56 71.25 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.464 -0.495 . . . . 0.0 109.689 178.118 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.7 mt -90.92 -54.75 7.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.737 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.6 t -36.17 155.08 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 66.39 35.15 89.76 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.526 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -159.97 85.64 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.812 0.339 . . . . 0.0 110.823 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 3.4 p -60.09 150.9 28.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 1.8 mp -98.84 140.34 33.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.6 171.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -136.09 -48.64 0.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.093 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -153.66 75.23 1.03 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.937 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 81.4 m . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.827 0.346 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B 1102 ' ' ILE . . . . . 0.407 HG22 ' CD2' ' A' ' 696' ' ' HIS . 3.7 mt -94.34 160.22 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1103 ' ' SER . . . . . . . . . . . . . 6.3 t -56.98 159.99 3.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.833 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -75.72 112.97 22.46 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.033 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1105 ' ' PRO . . . . . 0.46 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 32.6 Cg_endo -65.01 172.05 7.88 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.364 2.043 . . . . 0.0 112.354 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.62 170.02 21.24 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.668 2.245 . . . . 0.0 112.302 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.16 156.67 59.08 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.514 2.143 . . . . 0.0 112.315 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 45.6 mt -96.45 145.75 25.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1109 ' ' ILE . . . . . 0.524 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -115.62 123.01 70.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 78.6 p -83.47 128.42 34.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 66.5 p -122.3 117.4 26.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -158.58 65.75 0.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 22.6 mtmm . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.794 0.33 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 29.5 m -107.39 31.41 5.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.98 136.37 9.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -128.42 117.49 21.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 662' ' ' SER . . . . . 0.448 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -171.88 130.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.062 179.871 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 5.1 t -65.14 125.64 25.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.159 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.491 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.4 m0 -62.25 -20.94 64.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.563 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . 0.409 ' OD1' ' HE2' ' A' ' 690' ' ' LYS . 3.2 t30 -103.92 -61.99 1.36 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.574 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.516 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 58.8 m -54.69 -61.37 2.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.633 -179.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 102.66 24.08 8.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.289 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.24 -62.84 1.08 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.691 0.282 . . . . 0.0 110.932 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -161.23 152.71 19.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.96 0.41 . . . . 0.0 111.22 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -142.6 143.96 32.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.04 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.3 m -120.46 -5.11 9.83 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -109.67 158.51 18.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.867 0.365 . . . . 0.0 110.546 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 673' ' ' THR . . . . . 0.524 ' HB ' HG13 ' B' 1109 ' ' ILE . 86.8 m -133.87 139.51 46.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.585 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 42.4 t -68.2 106.57 2.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.209 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 84.3 p -67.85 -9.33 43.77 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -79.15 -45.23 9.06 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.451 -0.88 . . . . 0.0 112.423 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 19.2 p -111.64 -14.7 13.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.775 0.321 . . . . 0.0 111.087 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 3.2 m120 60.87 22.85 12.92 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.014 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 94.3 m -121.74 -36.97 2.94 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.491 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -73.93 154.37 39.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.971 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -138.29 141.31 39.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.417 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 91.7 m-85 -152.87 148.89 27.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.73 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 18.7 p -92.24 -18.81 22.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.264 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -151.92 152.26 24.03 Favored Glycine 0 C--N 1.334 0.465 0 C-N-CA 120.372 -0.918 . . . . 0.0 112.98 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 685' ' ' SER . . . . . 0.434 ' O ' ' HG3' ' A' ' 688' ' ' GLN . 4.3 t -53.0 -22.11 5.27 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.599 0.238 . . . . 0.0 111.55 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -75.96 -41.43 51.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.006 0.431 . . . . 0.0 110.15 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 18.4 m -63.08 -44.97 94.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.609 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . 0.456 ' OE1' ' CD2' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -61.73 -42.31 98.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.621 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . 0.456 ' CD2' ' OE1' ' A' ' 688' ' ' GLN . 1.9 m170 -69.05 -37.21 78.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.821 0.343 . . . . 0.0 111.209 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . 0.409 ' HE2' ' OD1' ' A' ' 665' ' ' ASN . 0.0 OUTLIER -57.25 -52.53 64.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.245 -179.605 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.98 -9.02 58.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.08 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.46 ' CE2' ' HB3' ' B' 1105 ' ' PRO . 8.3 t-105 -45.11 -44.54 10.59 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.527 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.7 OUTLIER -52.89 -42.07 64.96 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.816 0.341 . . . . 0.0 111.282 -179.362 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . 0.475 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 20.5 mtmm -87.32 -47.27 8.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.895 0.378 . . . . 0.0 111.254 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . 0.456 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 59.5 t60 -59.4 -40.03 85.33 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.549 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 3.8 p80 -54.26 -29.07 45.68 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -178.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . 0.549 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 65.2 m-70 -60.35 -32.2 71.03 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.481 178.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 3.1 pt -105.34 -3.76 9.78 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -178.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 1.8 t -63.49 101.4 0.33 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.955 0.407 . . . . 0.0 111.28 -179.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -46.9 -27.02 3.13 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.754 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 65.42 116.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.79 0.328 . . . . 0.0 111.021 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 1.6 m 59.77 160.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.977 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -98.08 -176.84 3.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 63.87 163.45 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -70.93 156.47 39.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.048 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -176.91 156.29 1.32 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 10.9 tm0? . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.882 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.803 0.335 . . . . 0.0 111.268 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B 1102 ' ' ILE . . . . . . . . . . . . . 5.2 mp 60.24 -82.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.316 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1103 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -150.64 -175.55 5.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.774 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 15.6 m120 -96.76 105.21 21.82 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1105 ' ' PRO . . . . . 0.473 ' HB3' ' CZ2' ' A' ' 692' ' ' TRP . 56.6 Cg_endo -70.91 159.27 53.08 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.513 2.142 . . . . 0.0 112.431 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -55.89 173.18 0.43 Allowed 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.617 2.211 . . . . 0.0 112.187 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -73.84 160.08 44.04 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.617 2.211 . . . . 0.0 112.645 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 7.0 mt -95.54 144.92 25.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.704 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1109 ' ' ILE . . . . . 0.522 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -114.77 122.87 69.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.978 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 53.2 p -90.32 129.9 36.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 93.3 p -124.18 119.45 29.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -160.71 92.07 0.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.84 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 2.3 t0 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.856 0.36 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.5 m -150.65 79.87 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 1.4 m -95.0 -30.7 13.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -96.29 77.45 3.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.35 132.29 1.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.496 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 6.2 t -68.24 125.78 27.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.012 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.47 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 16.1 m0 -63.39 -20.15 65.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.522 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -102.59 -62.82 1.22 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.503 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.496 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 65.6 m -55.39 -61.11 2.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.644 -179.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.22 22.58 10.45 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.352 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.77 -60.37 1.38 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.845 0.355 . . . . 0.0 110.819 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.41 152.98 12.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . 0.411 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -143.02 143.68 31.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.232 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.4 m -120.16 -5.07 9.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.687 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -109.69 157.61 18.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.878 0.37 . . . . 0.0 110.512 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 673' ' ' THR . . . . . 0.522 ' HB ' HG13 ' B' 1109 ' ' ILE . 65.7 m -131.8 139.42 48.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.45 -178.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 44.3 t -69.13 107.04 3.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.237 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 27.0 p -67.43 -10.24 49.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.017 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -74.39 -53.33 6.81 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.137 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.0 p -107.89 -10.56 15.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.687 0.279 . . . . 0.0 111.118 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 29.5 m120 60.29 23.81 13.25 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.096 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 97.3 m -122.64 -36.99 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.47 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -72.92 154.95 40.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.802 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -138.33 141.81 39.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.392 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . 0.433 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 90.6 m-85 -152.34 148.46 27.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.728 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 21.4 p -92.09 -19.44 22.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.21 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.5 149.96 21.9 Favored Glycine 0 C--N 1.334 0.434 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.538 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 1.4 p -47.81 -39.04 17.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.668 0.27 . . . . 0.0 111.4 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -64.34 -36.36 83.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 38.7 m -64.05 -44.07 93.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.882 0.373 . . . . 0.0 111.122 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . 0.521 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -62.9 -40.6 98.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.658 -179.835 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . 0.521 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 8.7 m170 -69.91 -37.02 75.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.359 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -52.23 66.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.124 0.488 . . . . 0.0 111.187 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.9 -9.81 57.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.0 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.473 ' CZ2' ' HB3' ' B' 1105 ' ' PRO . 7.8 t-105 -45.26 -44.86 11.59 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.62 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.55 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.5 OUTLIER -52.89 -41.58 64.5 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.796 0.331 . . . . 0.0 111.245 -179.55 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . 0.471 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 3.6 mtmm -87.07 -48.08 8.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.235 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . 0.45 ' CE1' ' HB3' ' A' ' 680' ' ' ALA . 69.0 t60 -57.54 -42.02 82.1 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -178.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.55 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 3.6 p80 -54.74 -29.09 52.73 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -178.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . 0.546 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 68.1 m-70 -61.06 -31.59 71.24 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.537 -0.465 . . . . 0.0 109.823 178.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.6 mt -92.58 -54.92 6.69 Favored 'Isoleucine or valine' 0 C--O 1.231 0.104 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.919 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.3 t -38.94 159.26 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -179.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 61.98 36.54 93.02 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.642 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -139.24 33.0 2.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.843 0.354 . . . . 0.0 110.855 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 77.0 p -122.79 158.19 30.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.23 150.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.2 113.09 4.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.99 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -133.74 -46.72 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.0 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -145.44 126.58 14.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.962 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.809 -179.95 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.812 0.339 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B 1102 ' ' ILE . . . . . . . . . . . . . 21.3 mt -139.99 159.67 26.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.085 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1103 ' ' SER . . . . . . . . . . . . . 3.0 m -64.75 175.97 1.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 2.0 m120 -92.55 114.77 63.41 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1105 ' ' PRO . . . . . 0.437 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 38.1 Cg_endo -66.75 157.88 58.92 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.385 2.056 . . . . 0.0 112.347 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.43 170.21 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.659 2.239 . . . . 0.0 112.219 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.67 158.71 54.98 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.587 2.192 . . . . 0.0 112.528 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 10.5 mt -96.59 145.95 25.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1109 ' ' ILE . . . . . 0.521 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -114.86 122.93 69.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.802 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.59 128.93 34.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.84 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 83.3 p -120.75 125.61 48.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -167.15 118.7 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 42.1 mttt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.822 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.809 0.338 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 34.4 t -137.27 -69.07 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 75.4 p -160.4 161.51 33.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.96 109.93 22.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 662' ' ' SER . . . . . 0.408 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -174.52 133.93 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.509 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 7.4 t -66.82 125.88 27.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.032 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.461 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.3 m0 -62.28 -23.4 66.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.604 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -100.48 -62.49 1.23 Allowed 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.578 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.509 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 64.1 m -55.06 -61.23 2.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.592 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 102.08 24.09 8.73 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.401 -0.904 . . . . 0.0 112.377 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.71 -64.28 1.03 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 0.0 110.821 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -159.32 152.0 21.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.057 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . 0.413 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -142.19 143.47 32.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.141 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.7 m -120.27 -5.03 9.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.72 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -109.7 157.52 19.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.902 0.382 . . . . 0.0 110.416 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 673' ' ' THR . . . . . 0.521 ' HB ' HG13 ' B' 1109 ' ' ILE . 68.0 m -133.65 139.46 46.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.445 -178.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 42.8 t -67.88 106.08 2.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.19 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 22.8 p -67.44 -9.6 43.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.121 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -78.51 -46.53 8.76 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.409 -0.9 . . . . 0.0 112.432 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 17.9 p -110.89 -14.08 14.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.734 0.302 . . . . 0.0 111.106 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 60.73 22.52 12.45 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.953 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 94.7 m -121.49 -37.09 2.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.97 0.415 . . . . 0.0 111.985 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.461 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -74.14 154.11 39.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.987 -179.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 12.0 mmm-85 -138.32 141.63 39.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.449 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . 0.421 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 90.7 m-85 -152.41 148.88 27.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.792 0.329 . . . . 0.0 110.681 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . 0.413 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.0 p -92.92 -18.59 22.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.298 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.0 150.25 22.28 Favored Glycine 0 C--N 1.334 0.433 0 C-N-CA 120.189 -1.005 . . . . 0.0 112.869 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 10.9 p -50.05 -31.1 12.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.634 0.254 . . . . 0.0 111.559 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -73.09 -35.77 66.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.663 0.268 . . . . 0.0 110.648 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 35.5 m -63.45 -42.71 98.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.471 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -64.34 -37.79 88.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.937 -179.687 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . 0.465 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 7.6 m170 -70.37 -37.36 74.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.784 0.326 . . . . 0.0 111.496 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -52.4 65.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.113 0.482 . . . . 0.0 111.24 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.06 -9.92 57.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.104 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.437 ' CE2' ' HB3' ' B' 1105 ' ' PRO . 9.8 t-105 -45.49 -44.75 12.72 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.526 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.2 OUTLIER -52.86 -43.13 65.85 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.659 0.266 . . . . 0.0 111.489 -179.162 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . 0.482 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 14.1 ptpt -87.17 -45.01 11.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.831 0.348 . . . . 0.0 111.326 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . 0.456 ' CE1' ' HB1' ' A' ' 680' ' ' ALA . 62.8 t60 -61.14 -39.97 92.09 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -178.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.554 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 3.9 p80 -54.38 -29.04 47.23 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -178.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . 0.554 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 64.4 m-70 -60.25 -31.62 70.37 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.349 178.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 3.1 pt -105.53 -3.56 9.81 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -178.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . 0.407 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . 1.8 t -64.54 100.58 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.012 0.434 . . . . 0.0 111.359 -179.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -49.19 -26.51 6.49 Favored Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.901 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -59.03 -67.27 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.789 0.328 . . . . 0.0 111.134 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 14.4 t -55.69 155.68 5.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.109 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 61.62 153.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -161.63 -44.62 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . 59.79 -176.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -141.55 160.0 41.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.917 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 19.3 p . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.877 0.37 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B 1102 ' ' ILE . . . . . . . . . . . . . 22.8 mt -88.67 159.73 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1103 ' ' SER . . . . . . . . . . . . . 1.4 m -59.91 177.15 0.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.957 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -94.34 112.51 57.84 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1105 ' ' PRO . . . . . 0.44 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 39.3 Cg_endo -66.99 149.63 82.8 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.381 2.054 . . . . 0.0 112.371 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.11 171.26 0.39 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.545 2.163 . . . . 0.0 112.168 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.77 158.52 55.39 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.542 2.161 . . . . 0.0 112.453 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 14.1 mt -96.34 145.96 25.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.822 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1109 ' ' ILE . . . . . 0.523 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -115.07 122.89 70.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.888 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 2.0 p -85.26 128.74 34.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 7.5 p -127.85 112.66 14.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -148.55 87.56 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.102 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 9.2 mttp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.967 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 11.9 t70 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.789 0.328 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -176.59 -65.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.6 -32.68 74.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -70.63 108.47 4.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 662' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.3 OUTLIER -176.57 133.02 0.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.021 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.514 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 6.7 t -64.38 126.21 27.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.437 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.0 m0 -62.43 -21.88 65.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.576 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -101.97 -62.58 1.24 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.597 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.514 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 69.2 m -55.05 -61.46 2.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.612 -179.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.25 24.8 7.74 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.391 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -128.16 -65.48 0.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.837 0.351 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -157.04 152.1 26.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.095 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -141.93 143.31 33.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.07 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 26.2 t -120.54 -5.54 9.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.691 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -109.74 157.35 19.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.91 0.386 . . . . 0.0 110.443 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 673' ' ' THR . . . . . 0.523 ' HB ' HG13 ' B' 1109 ' ' ILE . 54.0 m -132.94 139.43 47.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.424 -178.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 42.3 t -67.96 106.04 2.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.204 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 16.9 p -66.89 -9.91 42.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 112.198 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -78.13 -46.88 8.82 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.369 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 18.6 p -110.87 -13.61 14.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.68 0.276 . . . . 0.0 111.087 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 16.4 m120 60.29 22.65 12.1 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.006 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 99.7 m -121.45 -36.81 3.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.975 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.45 ' HB1' ' CE1' ' A' ' 695' ' ' HIS . . . -74.03 153.99 39.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.891 -179.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -138.3 141.78 39.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.507 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . 0.427 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 91.5 m-85 -152.38 148.89 28.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.702 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 20.9 p -92.87 -17.96 23.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.448 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.82 149.71 21.68 Favored Glycine 0 C--N 1.334 0.44 0 C-N-CA 120.273 -0.965 . . . . 0.0 112.805 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 17.8 p -49.09 -34.4 13.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.688 0.28 . . . . 0.0 111.45 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -70.51 -35.1 73.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.75 0.31 . . . . 0.0 110.738 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 58.3 m -63.4 -42.55 98.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.479 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . 0.478 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -65.13 -37.92 88.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.966 -179.765 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . 0.478 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 6.7 m170 -70.32 -37.47 74.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.798 0.332 . . . . 0.0 111.289 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.39 -52.4 65.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.06 0.457 . . . . 0.0 111.115 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.98 -10.1 57.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.106 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.44 ' CE2' ' HB3' ' B' 1105 ' ' PRO . 10.1 t-105 -45.56 -43.13 11.74 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.508 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.5 OUTLIER -52.83 -47.74 67.48 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -178.83 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . 0.565 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 0.0 OUTLIER -86.85 -36.77 18.27 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.597 -179.463 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . 0.45 ' CE1' ' HB1' ' A' ' 680' ' ' ALA . 61.4 t60 -67.05 -39.4 86.9 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -178.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.568 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 4.6 p80 -54.43 -28.99 47.87 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -178.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . 0.568 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 64.1 m-70 -60.49 -30.71 69.87 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.37 178.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.9 pt -106.51 -3.55 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -178.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . 0.421 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . 1.8 t -63.48 100.2 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.359 . . . . 0.0 111.361 -179.117 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -50.09 -27.92 11.7 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.728 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 59.1 26.64 15.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.754 0.311 . . . . 0.0 110.975 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 1.4 m -146.73 151.84 37.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 5.0 mp -118.13 39.33 3.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 4.2 tm0? -77.04 123.03 25.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -157.24 31.72 0.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.093 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -167.33 101.16 0.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.838 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 41.7 p . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.844 0.354 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B 1102 ' ' ILE . . . . . . . . . . . . . 16.6 mt -105.31 158.67 5.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.065 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1103 ' ' SER . . . . . . . . . . . . . 1.5 t -63.59 -169.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 18.2 m120 -103.7 111.95 65.37 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1105 ' ' PRO . . . . . 0.46 ' HB3' ' CD2' ' A' ' 692' ' ' TRP . 39.8 Cg_endo -68.14 152.19 76.47 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.432 2.088 . . . . 0.0 112.442 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.25 168.13 0.65 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.344 2.03 . . . . 0.0 111.898 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.52 163.32 38.89 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.47 2.113 . . . . 0.0 112.635 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 61.4 mt -98.89 147.8 24.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1109 ' ' ILE . . . . . 0.515 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.2 pt -115.72 122.89 70.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.85 130.85 34.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 77.9 p -122.94 118.32 27.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -148.9 77.98 1.39 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.072 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 25.1 mmtt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.818 0.342 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.6 m -169.72 -52.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 1.3 m -81.76 143.74 31.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -134.98 112.56 10.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 662' ' ' SER . . . . . 0.411 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.3 OUTLIER -170.2 130.06 0.93 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.045 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.47 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 6.9 t -65.29 126.57 28.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.012 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.44 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.6 m0 -64.56 -17.45 63.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.457 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -103.99 -63.39 1.2 Allowed 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.313 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.47 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 92.2 m -55.88 -61.63 2.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.494 -179.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.0 23.51 8.56 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.432 -0.889 . . . . 0.0 112.413 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.02 -62.4 1.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.856 0.36 . . . . 0.0 110.816 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -161.05 153.08 19.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.043 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . 0.419 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -142.1 143.33 33.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.099 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 2.0 t -119.54 -6.25 10.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.68 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -109.74 157.99 18.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.865 0.364 . . . . 0.0 110.365 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 673' ' ' THR . . . . . 0.515 ' HB ' HG13 ' B' 1109 ' ' ILE . 67.3 m -132.51 139.43 47.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.476 -178.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 43.6 t -67.98 105.66 2.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.212 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 97.2 p -66.41 -10.19 41.31 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.125 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -76.52 -49.31 8.21 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.457 -0.878 . . . . 0.0 112.346 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 23.0 p -109.92 -12.3 14.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.626 0.251 . . . . 0.0 111.102 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 2.8 m120 60.08 23.0 12.22 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.032 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 96.0 m -121.97 -37.12 2.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.918 0.389 . . . . 0.0 112.005 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.448 ' CB ' ' CE1' ' A' ' 695' ' ' HIS . . . -73.64 156.21 38.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.733 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 45.6 mmm-85 -138.17 142.11 40.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.434 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -151.99 146.95 25.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.785 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . 0.419 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 21.5 p -92.81 -18.64 22.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.377 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.86 150.45 22.52 Favored Glycine 0 C--N 1.334 0.446 0 C-N-CA 120.135 -1.031 . . . . 0.0 112.998 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 80.5 p -48.8 -33.48 10.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.646 0.26 . . . . 0.0 111.659 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -70.43 -35.09 73.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 110.457 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 14.6 m -64.1 -44.3 92.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.336 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . 0.517 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 1.5 pt20 -61.67 -42.98 99.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.734 0.302 . . . . 0.0 110.467 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . 0.517 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 17.9 m170 -70.45 -37.19 74.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.28 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.34 -52.34 65.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.329 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.7 -8.21 58.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.949 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.46 ' CD2' ' HB3' ' B' 1105 ' ' PRO . 7.4 t-105 -46.43 -42.93 15.98 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.714 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.516 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.4 OUTLIER -52.89 -47.85 67.59 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -178.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . 0.562 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 0.0 OUTLIER -86.74 -36.43 18.64 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.613 -179.346 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . 0.448 ' CE1' ' CB ' ' A' ' 680' ' ' ALA . 78.5 t60 -67.15 -40.04 86.64 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.047 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.555 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 4.4 p80 -54.78 -29.25 53.68 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -178.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . 0.562 ' CD2' ' HA ' ' A' ' 694' ' ' LYS . 62.6 m-70 -61.61 -32.05 72.15 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 120.411 -0.516 . . . . 0.0 109.695 178.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.6 mt -90.79 -55.2 6.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.8 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.0 t -36.37 155.22 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.411 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 71.69 34.54 62.78 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.515 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -94.85 -36.86 11.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.792 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 91.5 m -131.6 136.31 47.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.823 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 85.3 mt -106.45 -44.38 4.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -132.85 148.36 52.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -67.5 86.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.058 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -65.91 114.76 5.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.913 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 21.0 p . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.775 0.321 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B 1102 ' ' ILE . . . . . 0.411 HG23 HD12 ' B' 1102 ' ' ILE . 22.2 mt -121.85 160.31 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.057 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1103 ' ' SER . . . . . . . . . . . . . 3.0 m -55.49 174.54 0.09 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -94.89 124.96 52.83 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1105 ' ' PRO . . . . . 0.44 ' HB3' ' CD2' ' A' ' 692' ' ' TRP . 44.0 Cg_endo -68.45 168.86 18.49 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.418 2.079 . . . . 0.0 112.41 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -69.6 171.86 13.53 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.671 2.248 . . . . 0.0 112.266 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.53 156.13 67.38 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.559 2.173 . . . . 0.0 112.476 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 16.3 mt -96.83 146.32 25.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.771 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1109 ' ' ILE . . . . . 0.526 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -114.92 122.98 70.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.866 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.47 129.65 34.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 24.6 p -122.93 119.31 30.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -139.84 143.61 36.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.827 0.346 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 58.6 p -169.75 151.69 4.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -176.81 -40.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.99 0.424 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -113.5 121.32 43.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 662' ' ' SER . . . . . 0.43 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -165.17 132.43 2.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.015 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.503 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 6.8 t -69.19 126.25 29.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.482 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.8 m0 -62.74 -23.47 67.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.586 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -100.15 -62.9 1.18 Allowed 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.611 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.503 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 64.2 m -54.53 -61.2 2.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.638 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.98 23.43 9.22 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.428 -0.891 . . . . 0.0 112.436 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -126.15 -63.65 1.09 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.695 0.283 . . . . 0.0 110.825 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -159.93 152.17 20.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.996 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . 0.414 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -142.21 143.45 32.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.21 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.76 -4.86 9.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.758 -179.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -109.68 156.86 19.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.804 0.335 . . . . 0.0 110.488 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 673' ' ' THR . . . . . 0.526 ' HB ' HG13 ' B' 1109 ' ' ILE . 68.1 m -133.38 139.51 46.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.535 -178.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 41.0 t -68.12 106.44 2.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.261 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 20.1 p -67.4 -9.39 41.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.233 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -79.09 -44.45 9.8 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.455 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 18.0 p -112.79 -14.45 13.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.683 0.277 . . . . 0.0 111.107 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 60.61 23.1 12.88 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.936 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 89.3 m -121.88 -37.05 2.91 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.482 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -73.92 154.43 39.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.9 -179.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -138.3 141.57 39.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.402 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . 0.439 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 89.9 m-85 -152.45 148.9 27.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.792 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . 0.414 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.0 p -93.47 -18.22 22.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.524 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.09 150.89 23.01 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.115 -1.041 . . . . 0.0 113.257 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 685' ' ' SER . . . . . 0.414 ' O ' ' HG3' ' A' ' 688' ' ' GLN . 2.3 p -51.78 -23.09 4.19 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.919 0.341 . . . . 0.0 111.919 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -80.95 -35.75 31.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.81 0.338 . . . . 0.0 110.657 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 19.1 m -63.61 -44.74 93.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.395 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . 0.459 ' OE1' ' CD2' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -62.0 -40.25 95.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.82 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . 0.459 ' CD2' ' OE1' ' A' ' 688' ' ' GLN . 8.2 m170 -69.63 -37.21 76.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.746 0.308 . . . . 0.0 111.205 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -52.41 65.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.015 0.436 . . . . 0.0 111.338 -179.478 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.11 -9.58 57.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.043 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.44 ' CD2' ' HB3' ' B' 1105 ' ' PRO . 9.5 t-105 -45.42 -44.27 11.96 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.523 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.8 OUTLIER -52.95 -43.29 66.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.665 0.269 . . . . 0.0 111.467 -179.079 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . 0.479 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 9.8 ptpt -87.04 -44.67 11.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.855 0.359 . . . . 0.0 111.305 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . 0.453 ' CE1' ' CB ' ' A' ' 680' ' ' ALA . 63.2 t60 -61.21 -40.13 92.8 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -178.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.551 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 3.8 p80 -54.27 -29.07 45.71 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -178.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . 0.551 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 63.5 m-70 -59.57 -31.33 69.34 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.497 178.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 695' ' ' HIS . 3.2 pt -105.41 -3.75 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -178.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.09 102.8 1.06 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.293 0.568 . . . . 0.0 110.94 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 157.61 -14.34 0.29 Allowed Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.371 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -102.34 121.37 42.16 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.862 0.363 . . . . 0.0 110.858 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 73.5 p -60.46 -63.53 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -138.55 138.77 38.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.63 164.57 12.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -129.57 135.54 48.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.099 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.5 -47.67 1.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.945 0.402 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B 1102 ' ' ILE . . . . . . . . . . . . . 19.2 mt -135.66 160.17 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.08 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1103 ' ' SER . . . . . . . . . . . . . 5.5 m -56.06 170.99 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.028 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -89.47 111.74 47.46 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1105 ' ' PRO . . . . . 0.44 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 41.0 Cg_endo -67.33 151.27 80.85 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.386 2.057 . . . . 0.0 112.352 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.82 169.92 0.33 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.571 2.181 . . . . 0.0 112.212 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.64 158.63 55.27 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.557 2.171 . . . . 0.0 112.483 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 46.5 mt -96.46 146.01 25.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1109 ' ' ILE . . . . . 0.51 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.2 pt -114.47 122.89 69.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.958 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.58 128.02 34.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.858 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 97.5 p -120.69 114.97 22.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -144.89 116.7 8.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.862 0.363 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 3.6 t -125.34 114.53 19.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.74 131.16 2.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 60.31 103.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.964 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 662' ' ' SER . . . . . 0.453 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.3 OUTLIER -167.52 127.76 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.005 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.491 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 6.4 t -68.15 126.04 28.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.054 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.457 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.8 m0 -63.15 -20.83 65.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.509 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -102.03 -62.87 1.21 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.543 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.491 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 93.0 m -55.31 -60.87 2.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.596 -179.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 102.31 23.89 8.73 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.447 -0.882 . . . . 0.0 112.43 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.16 -63.91 1.07 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.73 0.3 . . . . 0.0 110.785 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -159.77 152.86 21.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.049 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . 0.418 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -142.0 143.24 33.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.115 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.25 -6.18 9.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.673 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -109.65 157.9 18.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.809 0.337 . . . . 0.0 110.458 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 673' ' ' THR . . . . . 0.51 ' HB ' HG13 ' B' 1109 ' ' ILE . 60.3 m -133.9 139.51 46.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.52 -178.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 43.3 t -66.83 103.96 1.24 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.048 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 58.8 p -64.83 -10.15 26.01 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.271 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -78.42 -44.27 11.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.408 -0.901 . . . . 0.0 112.455 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 19.6 p -113.57 -13.73 12.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.598 0.237 . . . . 0.0 111.303 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.8 m120 59.66 22.87 11.63 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.745 0.307 . . . . 0.0 110.941 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 97.3 m -121.31 -37.08 2.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.812 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.457 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -75.68 154.7 36.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.594 -179.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -138.27 141.8 39.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.59 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . 0.422 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 91.8 m-85 -152.35 148.52 27.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.698 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . 0.418 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.2 p -93.21 -18.07 22.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.477 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.85 149.93 21.92 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 120.196 -1.002 . . . . 0.0 112.901 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 1.4 p -48.88 -33.84 11.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.661 0.267 . . . . 0.0 111.596 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -70.92 -35.34 72.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.731 0.3 . . . . 0.0 110.642 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 31.0 m -63.31 -44.55 94.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.428 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . 0.471 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -64.52 -38.06 89.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.809 -179.728 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . 0.471 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 6.2 m170 -70.4 -37.41 74.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.876 0.369 . . . . 0.0 111.151 179.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -52.23 66.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.079 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.93 -10.17 57.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.042 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.44 ' CE2' ' HB3' ' B' 1105 ' ' PRO . 8.8 t-105 -45.7 -43.53 12.82 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.51 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.6 OUTLIER -52.66 -48.0 66.77 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -178.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . 0.566 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 0.0 OUTLIER -86.8 -36.22 18.67 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.617 -179.312 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . 0.437 ' CE1' ' HB1' ' A' ' 680' ' ' ALA . 71.6 t60 -67.67 -39.22 84.52 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.57 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 4.8 p80 -54.67 -28.97 51.19 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -179.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . 0.57 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 61.8 m-70 -61.73 -31.21 71.36 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.113 178.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 695' ' ' HIS . 0.1 OUTLIER -103.22 -4.33 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -178.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 1.8 t -71.37 120.47 16.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.009 0.433 . . . . 0.0 111.196 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 127.15 14.51 2.7 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.921 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 58.43 167.68 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.921 0.391 . . . . 0.0 111.035 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 5.4 t -128.18 30.66 5.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 4.1 mt -105.49 150.95 24.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -113.28 133.38 55.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . 60.61 178.83 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.56 110.85 20.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.945 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.941 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.93 0.395 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B 1102 ' ' ILE . . . . . . . . . . . . . 15.5 mt -76.55 160.42 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.982 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1103 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.89 154.85 8.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -72.34 128.64 88.53 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.779 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1105 ' ' PRO . . . . . 0.447 ' HG3' ' CD2' ' A' ' 692' ' ' TRP . 6.1 Cg_exo -77.44 175.74 10.92 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.592 2.195 . . . . 0.0 112.066 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.43 170.58 19.58 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.483 2.122 . . . . 0.0 112.165 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.37 155.03 64.79 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.513 2.142 . . . . 0.0 112.367 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 15.6 mt -96.11 145.3 25.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1109 ' ' ILE . . . . . 0.527 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -115.35 122.83 70.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 2.6 p -86.75 131.23 34.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.907 0.384 . . . . 0.0 110.99 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 31.1 p -127.78 117.67 22.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -161.47 81.49 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 44.2 mttt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.849 0.357 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 2.3 p -165.59 169.53 15.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 20.0 m -116.35 156.17 27.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -92.85 75.91 4.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 662' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -165.98 130.57 2.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.988 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.507 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 6.4 t -67.56 125.88 27.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.45 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.4 m0 -62.91 -20.0 64.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.508 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -103.32 -62.67 1.26 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.558 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.507 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 65.5 m -54.9 -61.14 2.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.535 -179.208 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 100.91 23.6 9.76 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.379 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -126.1 -58.94 1.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.779 0.323 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.1 OUTLIER -165.98 153.13 9.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.094 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . 0.421 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -143.8 144.46 31.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.185 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.6 m -120.9 -4.31 9.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.728 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 682' ' ' TYR . 1.0 OUTLIER -109.71 157.03 19.53 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.814 0.34 . . . . 0.0 110.47 179.746 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 673' ' ' THR . . . . . 0.527 ' HB ' HG13 ' B' 1109 ' ' ILE . 99.5 m -132.63 139.51 47.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.452 -178.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 44.8 t -68.74 107.51 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.286 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 54.0 p -68.29 -9.69 49.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.154 -0.475 . . . . 0.0 112.181 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -76.58 -49.57 7.93 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.236 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 24.2 p -109.79 -12.39 14.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.733 0.301 . . . . 0.0 111.074 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.8 m120 60.22 23.36 12.73 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.05 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 96.4 m -122.37 -36.87 2.88 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.454 ' CB ' ' CE1' ' A' ' 695' ' ' HIS . . . -73.56 154.4 39.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.74 -179.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -138.25 142.01 39.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.563 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . 0.414 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 91.8 m-85 -152.09 148.9 28.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.337 . . . . 0.0 110.734 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . 0.421 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 21.3 p -92.83 -18.91 22.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.479 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.34 149.33 21.28 Favored Glycine 0 C--N 1.335 0.492 0 C-N-CA 120.229 -0.986 . . . . 0.0 112.826 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 99.6 p -49.45 -34.05 15.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.682 0.277 . . . . 0.0 111.383 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -70.64 -34.85 72.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.672 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 62.9 m -63.62 -41.37 98.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.464 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . 0.475 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -63.74 -37.62 88.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.882 -179.746 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . 0.475 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 10.2 m170 -70.37 -37.43 74.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.82 0.343 . . . . 0.0 111.419 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -52.31 65.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.028 0.442 . . . . 0.0 111.152 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.04 -10.66 56.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.148 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.447 ' CD2' ' HG3' ' B' 1105 ' ' PRO . 9.5 t-105 -45.26 -45.4 11.94 Favored 'General case' 0 N--CA 1.461 0.101 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.53 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.0 OUTLIER -52.83 -42.69 65.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.7 0.286 . . . . 0.0 111.522 -179.157 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . 0.465 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 0.2 OUTLIER -87.01 -44.64 11.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.509 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . 0.454 ' CE1' ' CB ' ' A' ' 680' ' ' ALA . 75.0 t60 -61.46 -41.74 97.7 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -178.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.549 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 3.8 p80 -54.55 -29.39 50.85 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -178.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . 0.549 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 70.3 m-70 -60.81 -30.75 70.26 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 178.262 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.6 mt -92.66 -54.11 7.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.888 -178.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.3 t -37.37 157.33 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 80.79 15.95 76.41 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.867 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 66.01 -72.99 0.07 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.755 0.312 . . . . 0.0 111.049 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 17.1 p -159.05 -178.14 7.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 1.6 mp -107.94 167.21 10.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -64.7 175.56 1.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -128.81 31.15 4.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -113.3 143.63 44.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 17.9 p . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.823 0.344 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B 1102 ' ' ILE . . . . . . . . . . . . . 18.2 mt -107.58 160.0 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.186 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1103 ' ' SER . . . . . . . . . . . . . 20.3 m -57.75 172.09 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -86.86 115.03 61.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.824 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1105 ' ' PRO . . . . . 0.464 ' HB3' ' CD2' ' A' ' 692' ' ' TRP . 37.1 Cg_endo -66.96 160.8 45.4 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.419 2.08 . . . . 0.0 112.548 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1106 ' ' PRO . . . . . 0.407 ' HG2' ' HA3' ' A' ' 676' ' ' GLY . 52.9 Cg_exo -54.96 163.33 4.28 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.618 2.212 . . . . 0.0 111.864 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.68 164.72 34.79 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.426 2.084 . . . . 0.0 112.543 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 12.9 mt -100.18 148.44 24.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.04 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1109 ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 673' ' ' THR . 0.8 OUTLIER -116.0 123.2 71.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.75 179.697 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.43 130.6 35.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.005 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 77.9 p -123.98 114.1 19.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -162.75 106.34 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 25.5 mttt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.797 0.332 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 8.5 t -123.91 158.98 30.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 1.7 t -76.73 -179.96 5.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.989 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -109.55 97.57 7.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 662' ' ' SER . . . . . 0.447 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -165.61 131.57 2.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.967 179.916 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.473 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 8.4 t -67.39 126.75 30.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.476 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.8 m0 -63.78 -20.02 65.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.669 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -102.67 -63.82 1.13 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.443 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.473 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 89.5 m -54.88 -60.52 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.585 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 100.98 23.98 9.41 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.398 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 17.6 mtp85 -125.49 -61.36 1.27 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.828 0.347 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -163.49 152.46 14.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.037 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . 0.424 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -142.44 143.62 32.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.177 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 11.5 m -119.89 -4.94 10.12 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.651 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -109.66 157.0 19.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.788 0.328 . . . . 0.0 110.392 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 673' ' ' THR . . . . . 0.505 ' O ' HG13 ' B' 1109 ' ' ILE . 48.7 m -132.91 139.6 47.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.493 -178.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 44.4 t -67.81 105.54 1.98 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.185 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 45.8 p -66.64 -9.46 36.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.193 -179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . 0.407 ' HA3' ' HG2' ' B' 1106 ' ' PRO . . . -77.39 -47.84 8.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.379 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 26.1 p -111.05 -13.04 14.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.718 0.294 . . . . 0.0 111.055 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 43.6 t30 60.19 24.42 13.76 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.116 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 63.9 m -122.8 -37.52 2.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.936 -179.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.476 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -73.66 156.06 38.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.789 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -138.23 141.84 39.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.451 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . 0.416 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 90.2 m-85 -152.22 146.84 25.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.637 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . 0.424 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 19.5 p -92.35 -19.79 21.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.249 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.06 150.39 22.43 Favored Glycine 0 C--N 1.334 0.472 0 C-N-CA 120.166 -1.016 . . . . 0.0 112.894 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 53.8 p -47.63 -37.59 12.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.672 0.272 . . . . 0.0 111.56 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -66.05 -35.08 79.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.805 0.336 . . . . 0.0 110.531 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 14.3 m -64.59 -45.48 86.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.234 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . 0.537 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 1.2 pt20 -61.88 -41.75 98.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.603 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . 0.537 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 18.7 m170 -70.61 -37.2 73.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.371 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -52.36 65.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.976 0.417 . . . . 0.0 111.517 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.75 -7.86 59.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.892 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.464 ' CD2' ' HB3' ' B' 1105 ' ' PRO . 6.2 t-105 -44.88 -45.01 10.05 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.505 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.555 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.0 OUTLIER -53.99 -38.39 65.02 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.593 0.235 . . . . 0.0 111.137 -179.561 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . 0.506 ' HG2' ' HG2' ' A' ' 693' ' ' GLU . 8.6 mmpt? -87.28 -49.39 7.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.971 0.415 . . . . 0.0 111.142 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . 0.452 ' CE1' ' HB3' ' A' ' 680' ' ' ALA . 40.2 t60 -57.35 -43.74 83.74 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.555 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 3.2 p80 -54.61 -29.02 50.67 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . 0.535 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 67.0 m-70 -60.18 -27.06 66.83 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.299 178.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -105.22 -49.21 9.17 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.957 -178.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 10.9 t -37.86 136.78 0.54 Allowed 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 89.91 -25.0 12.72 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.886 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -137.85 89.59 2.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 0.0 110.962 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.42 104.54 5.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.73 -69.46 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -80.77 169.57 17.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -107.85 174.23 5.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -160.45 32.22 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 17.0 tm0? . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.887 179.921 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.723 0.297 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1102 ' ' ILE . . . . . 0.454 HD13 HG21 ' B' 1102 ' ' ILE . 21.0 mt -145.81 160.36 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.023 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1103 ' ' SER . . . . . . . . . . . . . 2.2 t -54.52 -177.43 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -102.15 116.44 63.11 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1105 ' ' PRO . . . . . 0.436 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 45.1 Cg_endo -68.49 157.27 62.52 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.482 2.121 . . . . 0.0 112.402 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -55.93 172.63 0.53 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.628 2.219 . . . . 0.0 112.19 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.49 160.84 45.79 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.663 2.242 . . . . 0.0 112.541 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 56.7 mt -96.98 146.66 24.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1109 ' ' ILE . . . . . 0.524 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -115.69 123.02 70.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.052 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 81.0 p -84.23 128.56 34.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.845 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 82.6 p -120.58 118.83 31.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -168.99 104.61 0.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 1.5 mtmt . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.8 m -135.97 -57.13 0.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.4 135.18 5.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -85.31 94.37 8.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 662' ' ' SER . . . . . 0.445 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -168.99 132.44 1.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.053 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.534 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 5.0 t -67.21 125.77 27.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.083 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.47 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.3 m0 -62.87 -22.22 66.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.608 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . 0.408 ' OD1' ' HE2' ' A' ' 690' ' ' LYS . 3.3 t30 -101.8 -62.14 1.3 Allowed 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.518 -179.576 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.534 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 57.5 m -54.38 -61.45 2.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.529 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.17 24.34 8.02 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.348 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -128.56 -65.81 0.87 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.838 0.351 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -157.12 151.83 25.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.046 0.451 . . . . 0.0 111.22 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . . . . . . . . . . . -141.99 143.69 33.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.019 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.59 -5.9 10.23 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -179.3 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -109.69 158.48 18.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.962 0.41 . . . . 0.0 110.513 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 673' ' ' THR . . . . . 0.524 ' HB ' HG13 ' B' 1109 ' ' ILE . 79.3 m -132.39 139.34 48.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.495 -178.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 39.0 t -67.97 106.02 2.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.208 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 59.8 p -66.57 -10.29 43.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.139 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -75.62 -49.49 9.01 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.267 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 27.8 p -111.31 -11.52 14.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.63 0.252 . . . . 0.0 111.28 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 12.2 m120 60.35 24.6 14.09 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.078 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 96.2 m -122.84 -37.35 2.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.33 -0.395 . . . . 0.0 112.04 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.47 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -74.13 154.69 39.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.789 -179.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -138.23 141.42 39.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.615 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . 0.449 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 92.9 m-85 -152.74 148.36 27.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.571 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 20.2 p -91.64 -18.49 23.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.289 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -152.12 152.23 23.98 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.934 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 685' ' ' SER . . . . . 0.435 ' O ' ' HG3' ' A' ' 688' ' ' GLN . 4.5 t -52.3 -22.84 4.9 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.641 0.258 . . . . 0.0 111.608 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -75.29 -41.15 57.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.045 0.45 . . . . 0.0 110.205 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . 0.4 ' HA ' ' ND2' ' A' ' 665' ' ' ASN . 18.3 m -63.56 -45.34 90.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.618 -179.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . 0.449 ' HA ' ' CZ ' ' A' ' 682' ' ' TYR . 0.0 OUTLIER -61.7 -43.69 98.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.716 0.293 . . . . 0.0 110.544 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . 0.439 ' CD2' ' OE1' ' A' ' 688' ' ' GLN . 4.8 m170 -68.57 -37.02 79.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.137 179.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . 0.408 ' HE2' ' OD1' ' A' ' 665' ' ' ASN . 0.0 OUTLIER -57.47 -52.34 65.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.239 -179.77 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.88 -9.7 57.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.02 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.436 ' CE2' ' HB3' ' B' 1105 ' ' PRO . 11.8 t-105 -45.45 -43.97 11.86 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.546 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.0 OUTLIER -52.91 -41.45 64.43 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.703 0.287 . . . . 0.0 111.313 -179.318 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . 0.446 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 36.6 mtmt -86.97 -47.79 8.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 0.0 111.229 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . 0.453 ' CE1' ' HB1' ' A' ' 680' ' ' ALA . 49.8 t60 -57.46 -43.75 84.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.327 -178.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.546 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 3.3 p80 -54.52 -29.14 49.73 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . 0.541 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 58.6 m-70 -60.32 -27.57 67.43 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.092 178.423 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -101.1 -51.17 9.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.773 -178.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 8.4 t -37.25 155.77 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.246 -179.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 84.64 32.43 21.85 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.526 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -168.24 129.78 1.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.793 0.33 . . . . 0.0 110.853 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 25.6 p -59.98 159.13 9.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -151.35 121.82 7.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -99.4 35.7 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -165.92 151.36 8.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -169.52 -45.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.133 -0.937 . . . . 0.0 110.879 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.854 0.359 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B 1102 ' ' ILE . . . . . . . . . . . . . 24.1 mt -79.89 160.31 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.058 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1103 ' ' SER . . . . . . . . . . . . . 1.8 t -55.52 166.75 0.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -85.65 120.69 73.15 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1105 ' ' PRO . . . . . 0.436 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 53.7 Cg_endo -69.29 171.07 14.59 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.421 2.081 . . . . 0.0 112.388 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.16 171.14 15.46 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.618 2.212 . . . . 0.0 112.328 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.42 156.87 60.7 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.598 2.199 . . . . 0.0 112.459 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 15.8 mt -95.78 145.46 25.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1109 ' ' ILE . . . . . 0.533 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -114.87 122.93 69.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.949 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.71 129.75 35.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 87.3 p -130.39 111.33 12.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -153.44 102.73 2.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 44.2 mttt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 12.1 t70 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.855 0.359 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.51 99.72 3.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.68 -39.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -119.0 95.04 4.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.949 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 662' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 2.2 t 179.22 143.38 0.13 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.512 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 7.1 t -70.34 126.49 29.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.095 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.469 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.1 m0 -63.52 -24.6 67.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.538 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -97.27 -62.58 1.23 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.376 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.512 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 99.4 m -56.17 -59.73 4.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.538 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.84 30.03 5.95 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.409 -0.901 . . . . 0.0 112.386 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -135.47 -71.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.776 0.322 . . . . 0.0 111.127 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 1.6 mmtp -148.34 146.6 28.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.009 0.433 . . . . 0.0 111.461 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . 0.425 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -139.6 142.45 37.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.944 179.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.25 -5.31 9.93 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.861 -179.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -109.69 156.93 19.63 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.815 0.34 . . . . 0.0 110.42 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 673' ' ' THR . . . . . 0.533 ' HB ' HG13 ' B' 1109 ' ' ILE . 66.9 m -132.55 139.48 47.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.562 -178.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 44.1 t -68.13 107.16 2.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.323 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 33.5 p -67.31 -9.31 39.72 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.134 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -77.79 -46.36 9.69 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.36 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 20.0 p -112.39 -13.41 13.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.59 0.233 . . . . 0.0 111.178 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 61.9 t30 60.08 24.15 13.38 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.794 0.33 . . . . 0.0 110.822 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 75.6 m -122.5 -37.4 2.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.969 -179.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.469 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -73.41 155.43 39.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.796 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -138.28 141.84 39.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.466 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . 0.43 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 90.0 m-85 -152.28 147.48 26.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.695 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . 0.425 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 19.6 p -92.73 -18.75 22.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.432 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.67 149.48 21.42 Favored Glycine 0 C--N 1.335 0.48 0 C-N-CA 120.201 -1.0 . . . . 0.0 112.867 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 2.3 p -48.67 -35.43 13.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.69 0.281 . . . . 0.0 111.413 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -69.68 -34.47 73.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.73 0.3 . . . . 0.0 110.606 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 59.2 m -63.96 -42.24 97.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.451 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . 0.478 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -65.35 -37.81 88.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.957 -179.796 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . 0.478 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 7.8 m170 -70.42 -37.29 74.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.747 0.308 . . . . 0.0 111.427 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -52.57 64.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.17 0.51 . . . . 0.0 111.217 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.05 -9.87 57.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.054 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.436 ' CE2' ' HB3' ' B' 1105 ' ' PRO . 10.2 t-105 -44.99 -44.74 10.13 Favored 'General case' 0 N--CA 1.461 0.095 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.543 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.3 OUTLIER -52.76 -41.52 64.14 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.728 0.299 . . . . 0.0 111.313 -179.363 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . 0.458 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 9.1 mtmt -87.18 -47.74 8.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.298 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 63.2 t60 -57.41 -43.72 83.99 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -178.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.543 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 3.1 p80 -54.59 -28.98 50.06 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . 0.534 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 56.4 m-70 -59.45 -27.0 65.69 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.082 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -103.28 -48.54 10.48 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.669 -179.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.7 t -34.33 137.35 0.12 Allowed 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -73.18 -4.66 64.11 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.892 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 66.25 -75.41 0.05 Allowed 'General case' 0 C--O 1.231 0.117 0 CA-C-O 120.757 0.313 . . . . 0.0 111.033 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.07 -68.34 0.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.025 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 9.9 tp -132.47 158.87 40.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.976 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.82 87.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -156.39 133.73 10.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.142 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -92.96 140.68 29.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.318 -0.849 . . . . 0.0 110.949 -179.955 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.871 0.367 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1102 ' ' ILE . . . . . 0.405 HG21 ' CD2' ' A' ' 696' ' ' HIS . 6.8 mt -107.91 159.88 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1103 ' ' SER . . . . . . . . . . . . . 73.4 m -55.15 179.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -90.77 107.39 20.19 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1105 ' ' PRO . . . . . 0.511 ' HB3' ' CD2' ' A' ' 692' ' ' TRP . 31.6 Cg_endo -65.85 166.7 19.6 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.383 2.055 . . . . 0.0 112.672 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1106 ' ' PRO . . . . . 0.408 ' HG2' ' HA3' ' A' ' 676' ' ' GLY . 16.4 Cg_exo -67.41 159.22 53.39 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.843 2.362 . . . . 0.0 111.773 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.85 163.09 39.62 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.373 2.048 . . . . 0.0 112.262 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 13.1 mt -99.33 147.13 25.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1109 ' ' ILE . . . . . 0.506 HG13 ' HB ' ' A' ' 673' ' ' THR . 0.7 OUTLIER -116.52 123.24 71.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.815 179.72 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 1.1 p -84.04 127.77 34.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.928 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 43.8 p -122.62 113.29 19.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -155.87 104.02 2.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 5.8 mmtp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.932 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 1.6 t70 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.823 0.344 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 36.2 t -147.84 -173.55 4.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.803 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.88 -39.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -80.63 76.82 7.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 662' ' ' SER . . . . . 0.468 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 1.2 p -171.41 131.36 0.74 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.975 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.495 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 6.0 t -68.55 126.34 29.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.068 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.454 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.8 m0 -63.93 -22.15 66.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.56 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . 0.411 ' OD1' ' HE2' ' A' ' 690' ' ' LYS . 1.9 t30 -100.32 -63.49 1.13 Allowed 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.342 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.495 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 65.8 m -54.72 -61.27 2.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.59 -179.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 102.47 23.9 8.63 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.371 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 -126.69 -63.13 1.09 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.72 0.295 . . . . 0.0 110.842 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -161.02 152.47 19.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.062 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . 0.417 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -142.23 144.14 33.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.193 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -119.49 -5.71 10.29 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.818 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -109.68 158.58 17.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.851 0.357 . . . . 0.0 110.452 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 673' ' ' THR . . . . . 0.506 ' HB ' HG13 ' B' 1109 ' ' ILE . 50.4 m -133.52 139.63 46.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.627 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 41.1 t -67.43 105.46 1.81 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.139 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 90.8 p -67.24 -9.61 42.31 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -179.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . 0.408 ' HA3' ' HG2' ' B' 1106 ' ' PRO . . . -78.78 -46.11 8.8 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.383 -0.913 . . . . 0.0 112.374 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 21.2 p -110.83 -14.22 14.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.743 0.306 . . . . 0.0 111.005 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.8 m120 60.65 23.16 12.98 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.154 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 95.9 m -122.46 -37.01 2.84 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.454 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -74.51 155.35 38.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.837 -179.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -138.31 141.75 39.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.528 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . 0.413 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 94.4 m-85 -152.37 147.8 26.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.668 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . 0.417 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.6 p -91.88 -19.29 22.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.184 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -151.29 151.23 23.23 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.413 -0.899 . . . . 0.0 112.752 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.41 -33.67 14.47 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.817 0.341 . . . . 0.0 111.23 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -65.26 -40.79 94.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.934 0.397 . . . . 0.0 110.314 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 19.3 m -63.22 -44.52 95.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.508 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . 0.541 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 1.1 pt20 -61.79 -42.04 98.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.756 0.312 . . . . 0.0 110.534 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . 0.541 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 15.5 m170 -70.51 -37.3 74.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.374 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . 0.411 ' HE2' ' OD1' ' A' ' 665' ' ' ASN . 0.0 OUTLIER -57.29 -52.29 65.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.384 -179.499 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.7 -8.27 58.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.957 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.511 ' CD2' ' HB3' ' B' 1105 ' ' PRO . 6.7 t-105 -45.87 -44.95 14.82 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.765 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.544 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.5 OUTLIER -52.96 -41.33 64.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.761 0.315 . . . . 0.0 111.258 -179.448 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . 0.471 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 10.9 mtmt -87.21 -47.75 8.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.265 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . 0.452 ' CE1' ' CB ' ' A' ' 680' ' ' ALA . 74.7 t60 -59.08 -40.93 86.77 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -178.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.544 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 3.7 p80 -54.71 -29.36 53.01 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -178.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . 0.542 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 68.8 m-70 -61.42 -32.27 72.22 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 120.452 -0.499 . . . . 0.0 109.77 178.293 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.6 mt -91.67 -54.78 6.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.001 -178.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.9 t -35.18 153.04 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 70.14 30.5 69.67 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.611 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -156.29 154.31 30.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 0.0 110.787 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 11.6 p -88.48 122.98 32.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -108.85 31.2 5.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.28 141.37 35.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -170.51 105.83 0.29 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -59.84 112.11 1.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.911 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 10.5 m . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.82 0.343 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B 1102 ' ' ILE . . . . . 0.423 HG21 ' CD2' ' A' ' 696' ' ' HIS . 3.3 mt -110.1 160.09 9.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1103 ' ' SER . . . . . . . . . . . . . 32.6 t -59.48 -169.68 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.847 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -101.9 113.48 65.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1105 ' ' PRO . . . . . 0.432 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 40.6 Cg_endo -67.21 152.07 80.14 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.304 2.003 . . . . 0.0 112.226 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.95 171.0 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.527 2.151 . . . . 0.0 112.282 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.48 159.68 50.69 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.587 2.192 . . . . 0.0 112.533 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 88.4 mt -96.4 146.13 25.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1109 ' ' ILE . . . . . 0.52 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -115.71 122.9 70.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.999 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.82 130.45 34.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.95 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 84.6 p -123.74 111.49 16.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -157.45 77.0 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.015 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.79 0.329 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.8 m -60.89 116.42 4.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 9.3 m -79.86 121.32 25.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 60.73 94.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 662' ' ' SER . . . . . 0.436 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.3 OUTLIER -172.61 131.88 0.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.002 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.512 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 5.4 t -69.31 125.91 28.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.438 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.9 m0 -63.74 -20.92 66.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.49 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -102.17 -62.95 1.2 Allowed 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.44 -179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.512 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 59.4 m -54.23 -61.88 2.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.527 -179.343 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.34 22.29 9.26 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.374 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -125.55 -64.93 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.748 0.309 . . . . 0.0 110.769 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -158.65 152.65 23.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.077 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . 0.403 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -141.48 143.09 33.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.103 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.02 -6.11 10.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.782 -179.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -109.69 157.09 19.45 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.868 0.366 . . . . 0.0 110.378 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 673' ' ' THR . . . . . 0.52 ' HB ' HG13 ' B' 1109 ' ' ILE . 78.4 m -131.51 139.39 49.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.574 -178.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 38.7 t -68.43 106.65 2.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.234 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 24.9 p -67.05 -9.96 44.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.112 -179.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -76.45 -48.95 8.6 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.27 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 21.5 p -110.68 -12.34 14.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.588 0.233 . . . . 0.0 111.15 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.6 m120 59.84 23.32 12.3 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.014 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 97.2 m -122.35 -37.08 2.85 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.455 ' CB ' ' CE1' ' A' ' 695' ' ' HIS . . . -73.96 155.02 39.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.641 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -138.28 141.79 39.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.694 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 91.7 m-85 -152.51 148.53 27.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.749 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . 0.403 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 22.4 p -92.79 -18.22 23.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.312 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -151.54 150.87 22.86 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.396 -0.906 . . . . 0.0 112.75 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 2.5 p -49.03 -33.82 12.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.84 0.352 . . . . 0.0 111.379 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -66.42 -40.42 89.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.921 0.391 . . . . 0.0 110.522 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 19.8 m -62.86 -45.66 91.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.767 -179.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . 0.501 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -62.78 -39.28 93.73 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.726 -179.815 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . 0.501 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 8.0 m170 -70.44 -37.52 74.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.874 0.369 . . . . 0.0 111.068 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -52.15 66.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.132 0.491 . . . . 0.0 111.03 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.82 -10.35 57.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.983 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.432 ' CE2' ' HB3' ' B' 1105 ' ' PRO . 8.8 t-105 -45.86 -43.55 13.66 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.649 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.513 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.4 OUTLIER -52.78 -47.97 67.15 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -178.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . 0.57 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 0.0 OUTLIER -86.74 -35.95 18.92 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.669 -179.319 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . 0.455 ' CE1' ' CB ' ' A' ' 680' ' ' ALA . 78.6 t60 -67.44 -40.39 85.45 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -179.049 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.556 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 4.5 p80 -54.72 -29.28 53.0 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -178.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . 0.57 ' CD2' ' HA ' ' A' ' 694' ' ' LYS . 62.1 m-70 -61.23 -32.14 71.93 Favored 'General case' 0 C--O 1.231 0.121 0 C-N-CA 120.367 -0.533 . . . . 0.0 109.613 178.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.9 mt -88.93 -55.83 5.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.633 -179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.6 t -35.99 154.64 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.476 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 66.76 19.97 69.87 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.686 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 55.91 30.31 15.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.799 0.333 . . . . 0.0 110.99 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 9.9 m -70.89 -35.1 72.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 14.4 mt -142.46 139.47 31.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.09 -33.8 6.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -69.29 169.75 11.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.116 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -128.35 30.18 5.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.297 -0.859 . . . . 0.0 110.881 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.782 0.325 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B 1102 ' ' ILE . . . . . . . . . . . . . 16.4 mt -81.39 160.03 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.015 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1103 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.11 169.46 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.815 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 8.9 p30 -83.71 126.52 70.68 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1105 ' ' PRO . . . . . 0.449 ' HG3' ' CE2' ' A' ' 692' ' ' TRP . 5.6 Cg_exo -75.95 173.68 14.09 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.494 2.129 . . . . 0.0 112.115 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -73.6 170.71 19.33 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.548 2.166 . . . . 0.0 112.224 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.32 154.98 65.06 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.544 2.163 . . . . 0.0 112.307 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 12.2 mt -96.22 145.57 25.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1109 ' ' ILE . . . . . 0.522 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -115.53 122.93 70.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.802 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.16 131.19 35.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.842 0.353 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 13.4 p -130.97 110.12 11.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.959 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -166.43 96.66 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.076 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 5.2 t70 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.879 0.371 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.63 99.86 7.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 13.8 m -86.42 173.4 9.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.737 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -140.63 96.68 3.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 662' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -174.9 133.36 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.999 179.874 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.511 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 6.9 t -67.22 126.3 28.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.968 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.462 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.7 m0 -63.41 -21.36 66.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.577 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -101.62 -62.8 1.21 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.418 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.511 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 65.0 m -55.1 -60.99 2.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.592 -179.315 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.82 23.57 9.22 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.446 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -126.28 -64.07 1.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.82 0.343 . . . . 0.0 110.773 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -159.76 152.25 21.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.116 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . 0.421 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -142.5 143.46 32.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.176 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 30.8 m -120.49 -4.82 9.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.672 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -109.66 155.99 20.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.879 0.371 . . . . 0.0 110.417 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 673' ' ' THR . . . . . 0.522 ' HB ' HG13 ' B' 1109 ' ' ILE . 56.3 m -131.44 139.36 49.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.478 -178.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 39.6 t -68.93 107.02 2.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.322 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 54.7 p -67.38 -9.61 43.13 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.123 -0.49 . . . . 0.0 112.139 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -76.37 -49.25 8.42 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.437 -0.887 . . . . 0.0 112.361 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 26.3 p -110.44 -12.22 14.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.665 0.269 . . . . 0.0 111.127 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 4.2 m120 60.16 23.94 13.26 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 120.781 0.324 . . . . 0.0 111.133 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 98.6 m -122.59 -37.11 2.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.93 0.395 . . . . 0.0 112.022 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.462 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -73.47 155.33 39.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.885 -179.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 41.5 mmm-85 -138.31 141.81 39.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.508 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . 0.416 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 91.2 m-85 -152.08 148.16 27.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.608 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . 0.421 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.8 p -92.97 -19.14 21.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.409 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.13 149.12 21.06 Favored Glycine 0 C--N 1.333 0.39 0 C-N-CA 120.139 -1.029 . . . . 0.0 112.813 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 20.0 p -49.07 -34.22 13.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.662 0.267 . . . . 0.0 111.362 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -70.23 -35.48 73.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.54 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 58.7 m -62.88 -42.17 99.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.44 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . 0.48 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -63.37 -37.63 88.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.931 -179.746 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . 0.48 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 10.4 m170 -70.46 -37.54 74.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.866 0.365 . . . . 0.0 111.561 179.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -52.26 66.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.061 0.458 . . . . 0.0 111.295 -179.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.09 -10.67 56.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.083 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.449 ' CE2' ' HG3' ' B' 1105 ' ' PRO . 8.5 t-105 -44.2 -46.46 8.92 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.559 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.1 OUTLIER -53.94 -37.82 64.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.643 0.259 . . . . 0.0 110.984 -179.696 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . 0.497 ' HG2' ' HG2' ' A' ' 693' ' ' GLU . 0.2 OUTLIER -87.25 -50.6 6.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.016 0.436 . . . . 0.0 111.163 179.551 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . 0.443 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 65.0 t60 -57.59 -43.14 84.41 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -178.343 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.559 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 3.1 p80 -54.38 -29.23 47.91 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . 0.537 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 72.9 m-70 -60.99 -30.41 70.26 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 178.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.5 mt -94.79 -53.93 7.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.906 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 6.0 t -35.98 154.44 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 71.03 33.48 65.32 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.603 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -112.38 169.51 8.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.873 0.368 . . . . 0.0 110.848 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 7.0 m -137.13 96.35 3.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 5.0 tp -113.64 31.38 6.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.774 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -152.32 84.94 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -114.32 149.36 36.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -162.27 97.38 1.01 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.892 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 13.8 t . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 120.814 0.34 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B 1102 ' ' ILE . . . . . . . . . . . . . 28.9 mt -104.16 160.39 4.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.026 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1103 ' ' SER . . . . . . . . . . . . . 69.4 m -56.94 -179.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.018 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 13.0 m120 -97.96 111.09 58.3 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1105 ' ' PRO . . . . . 0.454 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 39.3 Cg_endo -67.14 148.35 80.79 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.401 2.067 . . . . 0.0 112.372 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.15 170.69 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.569 2.179 . . . . 0.0 112.159 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.54 160.35 49.78 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.553 2.169 . . . . 0.0 112.471 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 17.6 mt -97.15 146.43 25.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1109 ' ' ILE . . . . . 0.521 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.2 pt -114.46 122.91 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.833 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.15 127.62 34.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.932 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 75.4 p -121.72 123.14 41.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -163.54 60.34 0.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.069 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 27.0 mtpt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 14.3 t70 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.841 0.353 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 9.0 p -135.36 177.98 7.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.02 -30.34 67.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -100.91 92.79 5.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 662' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -175.33 133.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.968 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.499 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 7.8 t -69.74 126.48 29.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.111 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.474 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.3 m0 -63.03 -23.5 67.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.62 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . 0.406 ' OD1' ' HE2' ' A' ' 690' ' ' LYS . 4.1 t30 -99.78 -62.87 1.18 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.537 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.499 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.5 m -54.91 -60.48 3.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.545 -179.217 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.54 23.87 9.18 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.459 -0.877 . . . . 0.0 112.446 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.8 -65.14 0.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.807 0.336 . . . . 0.0 110.824 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -158.04 151.51 23.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . 0.42 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -142.01 143.36 33.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.236 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.4 p -120.62 -5.39 9.74 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.733 -179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -109.67 157.35 19.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.909 0.385 . . . . 0.0 110.344 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 673' ' ' THR . . . . . 0.521 ' HB ' HG13 ' B' 1109 ' ' ILE . 71.1 m -134.37 139.55 45.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.583 -178.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 44.1 t -66.41 103.79 1.1 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.113 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 82.9 p -65.04 -10.1 27.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.154 -0.475 . . . . 0.0 112.156 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -78.49 -43.6 12.21 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.437 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 23.2 p -114.12 -14.07 12.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.701 0.286 . . . . 0.0 111.372 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.7 m120 60.14 23.69 12.99 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.091 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 78.6 m -121.96 -37.64 2.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.911 0.386 . . . . 0.0 111.984 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.474 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -75.04 155.11 37.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.74 -179.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -138.15 141.75 40.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.537 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . 0.446 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 89.6 m-85 -152.49 148.65 27.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.659 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . 0.42 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.0 p -93.51 -18.94 21.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.392 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.57 150.38 22.46 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.164 -1.017 . . . . 0.0 113.144 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 685' ' ' SER . . . . . 0.4 ' O ' ' HG3' ' A' ' 688' ' ' GLN . 4.6 p -51.12 -23.84 3.54 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -179.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -79.52 -35.66 39.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.358 . . . . 0.0 110.54 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 16.6 m -64.19 -45.58 87.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.228 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . 0.447 ' OE1' ' CD2' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -61.71 -42.49 99.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.767 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . 0.447 ' CD2' ' OE1' ' A' ' 688' ' ' GLN . 1.7 m170 -68.84 -36.94 78.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.288 179.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . 0.406 ' HE2' ' OD1' ' A' ' 665' ' ' ASN . 0.0 OUTLIER -57.29 -52.37 65.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.012 0.434 . . . . 0.0 111.252 -179.625 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.98 -9.83 57.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.112 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.454 ' CE2' ' HB3' ' B' 1105 ' ' PRO . 10.5 t-105 -45.59 -44.19 12.77 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.54 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.7 OUTLIER -52.9 -41.67 64.6 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.733 0.301 . . . . 0.0 111.343 -179.342 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . 0.464 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 50.1 mtmt -87.13 -47.68 8.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.932 0.396 . . . . 0.0 111.283 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . 0.446 ' CE1' ' HB3' ' A' ' 680' ' ' ALA . 55.2 t60 -57.4 -42.84 83.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.392 -178.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.549 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 3.7 p80 -54.71 -28.83 50.77 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -178.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . 0.549 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 65.1 m-70 -61.29 -24.87 66.72 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.46 178.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.32 -6.02 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -178.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 2.5 t -69.1 133.6 48.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.84 0.352 . . . . 0.0 111.057 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 101.7 -13.06 58.02 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.72 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 63.36 152.45 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.896 0.379 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 5.2 t -62.51 -37.32 85.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 4.6 mp -90.63 150.61 21.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -99.12 133.5 43.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -110.29 128.31 55.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.34 136.65 38.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.855 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.841 0.353 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B 1102 ' ' ILE . . . . . . . . . . . . . 19.1 mt -91.66 159.58 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.058 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1103 ' ' SER . . . . . . . . . . . . . 21.6 t -65.79 176.8 1.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -92.87 117.35 67.52 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.82 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1105 ' ' PRO . . . . . 0.421 ' HB3' ' CD2' ' A' ' 692' ' ' TRP . 49.5 Cg_endo -69.04 152.64 73.03 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.438 2.092 . . . . 0.0 112.348 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.16 168.86 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.525 2.15 . . . . 0.0 112.205 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.78 159.37 53.64 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.577 2.185 . . . . 0.0 112.418 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 7.1 mp -96.23 145.88 25.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.751 179.907 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1109 ' ' ILE . . . . . 0.533 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -115.98 123.01 70.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.02 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.95 128.11 34.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 81.8 p -123.58 109.99 14.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -135.44 79.47 1.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 13.1 mttt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.979 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 4.3 t0 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.826 0.346 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.4 m -106.26 110.54 22.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 14.3 m -141.55 135.87 30.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -130.33 90.5 2.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.982 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 662' ' ' SER . . . . . 0.455 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 1.4 p -172.31 127.29 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 179.9 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.5 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 5.8 t -66.82 125.89 27.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -179.749 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.456 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.6 m0 -63.69 -20.09 65.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.381 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -102.05 -63.01 1.19 Allowed 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.487 -179.533 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.5 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 81.9 m -55.66 -60.8 2.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.642 -179.36 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.22 25.03 8.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.442 -0.885 . . . . 0.0 112.362 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -127.55 -60.06 1.19 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.895 0.378 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.5 OUTLIER -164.49 152.99 12.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . 0.422 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -143.4 144.28 31.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.131 179.865 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.15 -4.32 10.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.721 -179.722 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -109.62 158.07 18.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.898 0.38 . . . . 0.0 110.429 179.723 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 673' ' ' THR . . . . . 0.533 ' HB ' HG13 ' B' 1109 ' ' ILE . 79.4 m -133.01 139.28 47.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.436 -178.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 44.6 t -68.84 107.33 3.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.319 179.62 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 24.8 p -67.81 -9.92 48.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.152 -179.528 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -75.49 -50.72 7.91 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.197 179.894 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 26.7 p -109.92 -11.41 14.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.655 0.264 . . . . 0.0 111.127 179.543 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 7.1 m120 60.31 24.09 13.55 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.081 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 91.7 m -122.53 -37.12 2.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.033 -179.169 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.456 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -72.56 155.53 39.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.879 -179.367 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -138.4 142.0 39.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.493 179.503 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . 0.431 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 89.2 m-85 -152.06 147.59 26.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 110.815 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . 0.422 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 19.8 p -92.3 -19.31 22.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.065 179.839 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.25 149.49 21.38 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 120.415 -0.897 . . . . 0.0 112.58 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 84.8 p -47.58 -39.0 15.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.743 0.306 . . . . 0.0 111.345 -179.799 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -64.14 -35.98 82.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.756 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 17.2 m -64.01 -42.66 97.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.877 0.37 . . . . 0.0 110.883 -179.715 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . 0.431 ' HA ' ' CZ ' ' A' ' 682' ' ' TYR . 0.0 OUTLIER -61.69 -44.8 96.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.174 -179.951 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -68.56 -37.16 79.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.46 -179.86 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -52.44 65.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.051 0.453 . . . . 0.0 111.281 -179.547 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.08 -9.44 57.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.013 179.644 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.432 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 11.4 t-105 -45.75 -44.37 13.76 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.435 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.541 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.0 OUTLIER -52.83 -41.71 64.46 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.723 0.297 . . . . 0.0 111.345 -179.322 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . 0.461 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 22.2 mtmt -87.08 -47.45 8.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.365 . . . . 0.0 111.357 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . 0.44 ' CE1' ' HB1' ' A' ' 680' ' ' ALA . 71.7 t60 -58.58 -42.3 87.73 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.459 0.541 . . . . 0.0 112.459 -178.711 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.544 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 3.4 p80 -54.62 -29.12 51.16 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.907 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . 0.544 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 66.8 m-70 -60.78 -30.42 70.03 Favored 'General case' 0 C--O 1.231 0.13 0 C-N-CA 120.516 -0.473 . . . . 0.0 109.759 178.125 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.2 mt -94.0 -54.0 7.74 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.798 -178.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.9 t -37.18 156.01 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.248 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 64.05 34.4 89.82 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.542 179.789 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -139.09 177.63 7.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.8 102.72 6.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.82 -173.55 3.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.59 154.53 19.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.911 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -132.97 109.86 9.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -145.53 177.46 8.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.889 179.918 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.836 0.351 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B 1102 ' ' ILE . . . . . 0.432 HG21 ' CD2' ' A' ' 696' ' ' HIS . 1.5 mt -64.98 161.65 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.024 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B 1103 ' ' SER . . . . . . . . . . . . . 8.2 t -56.44 -168.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -98.08 107.37 40.6 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.031 -179.848 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B 1105 ' ' PRO . . . . . 0.488 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 30.9 Cg_endo -65.56 172.33 8.14 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.402 2.068 . . . . 0.0 112.498 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B 1106 ' ' PRO . . . . . 0.405 ' HG3' ' HA3' ' A' ' 676' ' ' GLY . 60.0 Cg_endo -71.99 162.87 40.55 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.547 2.165 . . . . 0.0 111.889 179.463 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.67 163.64 38.27 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.353 2.036 . . . . 0.0 112.488 -179.84 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 18.5 mt -99.85 148.18 24.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.026 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B 1109 ' ' ILE . . . . . 0.519 HG13 ' HB ' ' A' ' 673' ' ' THR . 0.8 OUTLIER -115.89 123.13 70.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.797 179.757 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 1.5 p -80.71 128.77 34.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 57.0 p -124.48 116.22 22.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -175.56 78.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.087 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.921 0.391 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 20.3 t -155.31 169.9 23.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.93 -37.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 64.35 92.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 662' ' ' SER . . . . . 0.455 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -158.34 128.79 6.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.988 179.919 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.508 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 8.7 t -67.58 127.12 31.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.974 -179.872 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.469 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.2 m0 -63.4 -23.31 67.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.521 -179.785 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -99.47 -63.0 1.16 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.481 -179.469 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.508 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 90.2 m -54.92 -61.06 2.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.479 -179.414 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.55 24.83 8.5 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.357 -0.925 . . . . 0.0 112.523 -179.9 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 1.1 mmt-85 -127.58 -62.33 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.747 0.308 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -161.35 152.5 18.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.925 0.393 . . . . 0.0 111.103 179.954 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . 0.425 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -143.32 144.18 31.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.111 179.807 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.74 -5.28 10.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.674 -179.592 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -109.71 158.53 18.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.836 0.35 . . . . 0.0 110.403 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 673' ' ' THR . . . . . 0.519 ' HB ' HG13 ' B' 1109 ' ' ILE . 78.5 m -135.45 139.55 44.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.546 -178.894 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 45.4 t -65.95 102.63 0.81 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.172 179.536 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 84.3 p -64.74 -10.17 25.59 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.208 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . 0.405 ' HA3' ' HG3' ' B' 1106 ' ' PRO . . . -78.94 -44.0 10.49 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.459 -0.877 . . . . 0.0 112.45 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 22.2 p -112.61 -14.22 13.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.717 0.294 . . . . 0.0 111.166 179.781 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 60.55 23.43 13.13 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.09 -179.828 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 68.0 m -121.86 -37.75 2.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.93 0.395 . . . . 0.0 112.01 -179.168 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.469 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -74.97 156.03 36.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.861 -179.321 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 30.0 mmm-85 -138.24 141.87 39.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.333 179.477 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . 0.422 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 88.5 m-85 -152.21 147.22 26.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.66 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . 0.425 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 19.2 p -92.49 -19.9 21.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.242 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.82 150.24 22.28 Favored Glycine 0 C--N 1.333 0.411 0 C-N-CA 120.275 -0.964 . . . . 0.0 112.836 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 685' ' ' SER . . . . . 0.404 ' O ' ' HG2' ' A' ' 688' ' ' GLN . 93.1 p -46.85 -40.13 13.32 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.741 0.305 . . . . 0.0 111.515 -179.73 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -63.87 -34.56 78.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.749 0.309 . . . . 0.0 110.518 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 14.2 m -64.99 -46.31 81.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.116 -179.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . 0.534 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 1.2 pt20 -61.93 -41.43 97.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.593 -179.845 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . 0.534 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 18.5 m170 -70.63 -37.07 73.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.467 179.706 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -52.47 65.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.018 0.437 . . . . 0.0 111.507 -179.368 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -84.85 -8.43 58.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.029 179.835 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.488 ' CE2' ' HB3' ' B' 1105 ' ' PRO . 7.2 t-105 -45.41 -44.71 12.28 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -179.456 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.536 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.1 OUTLIER -53.02 -41.41 64.67 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.754 0.311 . . . . 0.0 111.337 -179.418 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . 0.467 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 41.1 mtmt -87.16 -47.75 8.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.211 -179.899 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . 0.455 ' CE1' ' HB3' ' A' ' 680' ' ' ALA . 53.0 t60 -57.47 -42.04 81.82 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -178.559 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.556 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 4.2 p80 -54.66 -28.85 50.25 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.927 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . 0.556 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 70.7 m-70 -61.67 -24.98 67.11 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.574 178.527 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.72 -6.33 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -178.366 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.19 133.4 47.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.858 0.361 . . . . 0.0 111.058 -179.653 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 95.97 24.64 14.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.518 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -169.35 120.79 0.72 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.834 0.35 . . . . 0.0 110.823 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 21.6 m -68.64 -51.2 44.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.88 143.86 50.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 179.928 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -126.53 120.86 30.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -135.58 32.6 3.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.099 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -134.87 81.58 1.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.98 179.937 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 5.0 t . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.847 0.356 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B 1102 ' ' ILE . . . . . . . . . . . . . 20.1 mt -125.95 159.7 33.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B 1103 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.02 169.37 6.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B 1104 ' ' ASN . . . . . 0.427 ' HA ' ' HD3' ' B' 1105 ' ' PRO . 79.2 m-20 -81.86 125.07 78.63 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B 1105 ' ' PRO . . . . . 0.445 ' HG3' ' CD1' ' A' ' 692' ' ' TRP . 6.2 Cg_exo -76.64 171.03 18.76 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.519 2.146 . . . . 0.0 112.273 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -76.02 170.32 20.32 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.603 2.202 . . . . 0.0 112.144 179.83 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.83 155.67 61.96 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.483 2.122 . . . . 0.0 112.433 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 31.6 mt -95.62 145.41 25.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.787 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B 1109 ' ' ILE . . . . . 0.525 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -114.74 122.89 69.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.925 179.756 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 39.0 p -87.44 128.88 35.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 51.4 p -119.99 113.96 21.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -151.43 97.65 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 48.3 mttp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.996 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 3.1 t70 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.88 0.371 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 4.2 m -128.48 97.97 4.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 65.0 m -108.47 170.65 7.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.804 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -98.04 76.81 2.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 662' ' ' SER . . . . . 0.407 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -173.79 135.92 0.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 179.953 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.543 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 7.7 t -68.23 126.86 30.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 -179.8 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.485 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.0 m0 -62.56 -26.66 68.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.495 -179.894 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -96.53 -62.77 1.22 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.517 -179.374 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.543 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 63.8 m -54.68 -61.0 2.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.508 -179.344 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.19 24.77 7.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.373 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.76 -70.23 0.65 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.797 0.332 . . . . 0.0 110.935 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 11.6 mmtp -150.75 149.75 30.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.07 0.462 . . . . 0.0 111.357 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . 0.408 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -141.67 143.41 33.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.89 179.615 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.77 -4.32 9.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.768 -179.497 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.73 157.26 19.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.906 0.384 . . . . 0.0 110.421 179.849 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 673' ' ' THR . . . . . 0.525 ' HB ' HG13 ' B' 1109 ' ' ILE . 58.4 m -133.52 139.49 46.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.484 -178.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 40.7 t -68.36 107.21 2.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.271 179.482 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 83.8 p -68.16 -9.42 46.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 112.219 -179.273 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -79.05 -45.03 9.27 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.452 -0.88 . . . . 0.0 112.412 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 17.4 p -111.95 -14.3 13.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.712 0.292 . . . . 0.0 111.053 179.755 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 3.1 m120 60.82 22.65 12.68 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.973 -179.809 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 100.0 m -122.04 -36.74 2.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.918 0.39 . . . . 0.0 111.991 -179.121 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.485 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -74.18 154.0 39.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.057 -179.266 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -138.31 141.78 39.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.396 179.457 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . 0.419 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 91.0 m-85 -152.32 148.99 28.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.779 0.323 . . . . 0.0 110.721 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . 0.408 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.7 p -92.64 -18.58 22.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.33 -179.86 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.55 149.93 21.86 Favored Glycine 0 C--N 1.334 0.433 0 C-N-CA 120.25 -0.976 . . . . 0.0 112.734 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 8.9 p -48.0 -39.27 19.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.742 0.306 . . . . 0.0 111.44 -179.778 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -66.21 -34.36 77.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.768 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 67.0 m -63.76 -41.9 97.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.685 0.279 . . . . 0.0 111.395 -179.372 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . 0.493 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -65.29 -36.91 85.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.959 -179.691 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . 0.493 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 8.8 m170 -70.59 -37.36 73.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.621 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -52.38 65.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.041 0.448 . . . . 0.0 111.394 -179.432 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.14 -10.33 56.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.182 179.808 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.445 ' CD1' ' HG3' ' B' 1105 ' ' PRO . 9.7 t-105 -44.68 -45.16 9.58 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.361 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.525 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.3 OUTLIER -53.0 -41.2 64.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.708 0.289 . . . . 0.0 111.3 -179.284 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . 0.474 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 32.0 mtmt -87.3 -47.84 8.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.975 0.416 . . . . 0.0 111.318 179.839 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . 0.453 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 60.6 t60 -59.23 -40.7 86.71 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -178.452 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.551 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 3.7 p80 -54.24 -29.12 45.47 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -178.533 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . 0.551 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 68.2 m-70 -59.98 -30.42 69.1 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.436 178.586 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 3.3 pt -106.61 -3.44 9.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -178.532 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 1.8 t -66.33 102.37 0.85 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.083 0.468 . . . . 0.0 110.858 -179.175 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 79.77 1.03 86.52 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.003 -179.418 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 55.34 30.93 15.72 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.742 0.305 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.6 157.12 18.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 -179.891 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.39 -38.11 3.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 61.98 176.27 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . 61.15 104.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -127.69 36.67 4.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.883 179.937 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.829 0.347 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B 1102 ' ' ILE . . . . . . . . . . . . . 20.0 mt -103.93 159.72 4.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B 1103 ' ' SER . . . . . . . . . . . . . 4.2 t -64.22 -175.47 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 -179.905 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 29.0 m120 -99.14 112.81 63.92 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B 1105 ' ' PRO . . . . . 0.438 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 41.8 Cg_endo -67.58 148.78 79.03 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.432 2.088 . . . . 0.0 112.286 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.4 170.86 0.48 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.485 2.123 . . . . 0.0 112.223 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.91 158.8 54.49 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.521 2.148 . . . . 0.0 112.422 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 8.5 mt -96.05 145.36 25.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B 1109 ' ' ILE . . . . . 0.527 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -115.62 122.93 70.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.886 179.86 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.68 129.66 34.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 21.5 p -121.37 124.52 44.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -162.24 78.65 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 34.0 mmtt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.916 179.972 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 2.0 t0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.874 0.368 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 7.7 t -72.87 93.55 1.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 2.9 m -122.46 -42.3 2.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.003 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -144.08 138.26 28.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.2 135.34 0.2 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.832 179.879 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.541 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 5.6 t -70.42 126.08 28.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.202 -179.778 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.453 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.3 m0 -63.33 -25.56 68.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.375 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -96.36 -62.65 1.24 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.435 -179.468 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.541 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.2 m -55.4 -60.94 2.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.445 -179.325 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.82 24.29 7.8 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.41 -0.9 . . . . 0.0 112.428 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -129.31 -73.99 0.56 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.767 0.318 . . . . 0.0 110.849 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -146.56 149.18 33.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.034 0.445 . . . . 0.0 111.478 -179.836 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . 0.413 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -140.42 142.57 35.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.989 179.537 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.7 m -120.54 -5.14 9.79 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.785 -179.519 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -109.67 156.99 19.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.926 0.393 . . . . 0.0 110.465 179.844 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 673' ' ' THR . . . . . 0.527 ' HB ' HG13 ' B' 1109 ' ' ILE . 88.4 m -132.17 139.4 48.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.456 -178.94 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 39.5 t -69.16 107.29 3.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.345 179.558 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 20.7 p -67.32 -9.76 44.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.16 -179.385 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -75.99 -49.85 8.28 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.3 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 25.7 p -110.32 -11.8 14.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.713 0.292 . . . . 0.0 111.136 179.537 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 60.24 23.63 13.02 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.984 -179.895 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 94.0 m -122.39 -36.76 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.871 0.367 . . . . 0.0 111.948 -179.208 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.455 ' CB ' ' CE1' ' A' ' 695' ' ' HIS . . . -73.18 154.13 40.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.784 -179.407 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -138.27 141.95 39.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.539 179.617 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . 0.421 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 91.6 m-85 -152.22 149.3 28.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.799 0.333 . . . . 0.0 110.672 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . 0.413 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 21.1 p -93.29 -19.03 21.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.425 -179.818 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.23 149.22 21.16 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 120.246 -0.978 . . . . 0.0 112.8 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 1.8 p -47.33 -40.02 16.24 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.7 0.286 . . . . 0.0 111.423 -179.853 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -66.2 -33.62 76.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.72 179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 68.0 m -63.74 -43.02 97.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.522 -179.399 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . 0.484 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -65.4 -37.44 86.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.824 -179.716 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . 0.484 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 8.5 m170 -70.4 -37.24 74.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 0.0 111.319 179.789 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -52.18 66.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.089 0.471 . . . . 0.0 111.109 -179.609 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.99 -10.0 57.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.04 179.747 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.438 ' CE2' ' HB3' ' B' 1105 ' ' PRO . 9.2 t-105 -45.73 -44.62 13.86 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 111.782 0.289 . . . . 0.0 111.782 -179.497 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.536 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.1 OUTLIER -52.82 -43.1 65.72 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.622 0.249 . . . . 0.0 111.487 -179.216 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . 0.469 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 11.0 ptpt -87.0 -44.7 11.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.383 -179.758 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . 0.455 ' CE1' ' CB ' ' A' ' 680' ' ' ALA . 77.1 t60 -60.75 -41.86 96.25 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -178.791 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.548 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 3.9 p80 -54.59 -29.27 51.1 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -178.837 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . 0.548 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 66.6 m-70 -60.45 -31.12 70.12 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.097 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.7 mt -92.14 -53.98 7.96 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.782 -179.036 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.6 t -37.08 156.39 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.254 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 68.04 35.36 83.73 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.6 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -90.55 145.09 25.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.778 0.323 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.74 83.23 4.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 1.4 tp -103.55 116.71 32.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 60.18 78.26 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -133.49 -48.99 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.109 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -96.39 -175.05 3.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.821 -179.972 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.816 0.341 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B 1102 ' ' ILE . . . . . . . . . . . . . 5.4 mt -102.65 160.65 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.964 -179.937 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B 1103 ' ' SER . . . . . . . . . . . . . 4.5 m -54.75 -174.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -98.98 106.47 38.14 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.002 -179.868 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B 1105 ' ' PRO . . . . . 0.458 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 40.8 Cg_endo -68.4 149.4 74.99 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.361 2.041 . . . . 0.0 112.462 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B 1106 ' ' PRO . . . . . 0.41 ' HG2' ' HA3' ' A' ' 676' ' ' GLY . 53.8 Cg_exo -52.42 168.02 0.48 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.541 2.161 . . . . 0.0 111.931 179.668 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -74.04 164.57 34.1 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.454 2.103 . . . . 0.0 112.635 -179.727 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.63 147.03 25.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.196 -179.787 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B 1109 ' ' ILE . . . . . 0.523 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -116.31 123.04 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.638 179.481 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 2.7 p -84.17 131.51 34.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.851 0.358 . . . . 0.0 110.997 -179.839 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 46.9 p -131.41 113.87 14.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.959 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -146.93 115.89 6.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.044 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 1.3 mmtt . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.96 179.936 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 32.9 t0 . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.795 0.331 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 24.5 m -123.75 120.46 32.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.35 -171.39 3.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 62.09 101.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.39 131.2 0.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 179.854 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 663' ' ' CYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 6.9 t -65.67 126.66 29.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.041 -179.772 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 664' ' ' TRP . . . . . 0.457 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.1 m0 -63.79 -22.12 66.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.335 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -98.77 -63.34 1.13 Allowed 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.271 -179.644 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.506 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 84.2 m -55.62 -61.07 2.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.526 -179.383 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 104.06 25.78 6.97 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.37 -0.919 . . . . 0.0 112.452 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 15.0 ttt85 -130.87 -71.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.664 0.269 . . . . 0.0 111.006 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -149.2 150.14 32.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.036 0.446 . . . . 0.0 111.473 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 670' ' ' ALA . . . . . 0.422 ' HA ' ' HB3' ' A' ' 683' ' ' CYS . . . -141.49 143.06 33.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.952 179.543 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.36 -5.6 10.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.75 -179.482 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -109.76 158.96 17.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.785 0.326 . . . . 0.0 110.43 179.873 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 673' ' ' THR . . . . . 0.523 ' HB ' HG13 ' B' 1109 ' ' ILE . 58.5 m -133.62 139.45 46.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.497 -178.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 43.7 t -68.11 106.37 2.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.255 179.507 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 86.7 p -67.12 -9.9 44.5 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.111 -179.352 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 676' ' ' GLY . . . . . 0.41 ' HA3' ' HG2' ' B' 1106 ' ' PRO . . . -76.08 -50.27 7.82 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.394 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 25.6 p -109.24 -11.8 14.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.645 0.26 . . . . 0.0 111.125 179.411 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.7 m120 60.41 23.62 13.19 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.075 -179.887 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 98.3 m -122.67 -36.78 2.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.962 0.41 . . . . 0.0 112.021 -179.235 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 680' ' ' ALA . . . . . 0.457 ' HA ' ' CZ2' ' A' ' 664' ' ' TRP . . . -73.56 155.39 39.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.847 -179.46 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -138.31 141.94 39.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.376 179.482 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -152.09 147.6 26.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.707 -179.918 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . 0.422 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.4 p -92.81 -18.91 22.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.347 -179.85 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.66 150.94 23.02 Favored Glycine 0 C--N 1.335 0.495 0 C-N-CA 120.138 -1.029 . . . . 0.0 112.948 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 685' ' ' SER . . . . . 0.421 ' O ' ' HG2' ' A' ' 688' ' ' GLN . 25.8 p -48.47 -36.05 14.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.724 0.297 . . . . 0.0 111.635 -179.754 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -67.75 -34.56 77.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.849 0.357 . . . . 0.0 110.476 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 15.2 m -64.69 -45.32 87.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.319 -179.769 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 688' ' ' GLN . . . . . 0.501 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 1.8 pt20 -61.89 -42.11 98.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.578 -179.859 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 689' ' ' HIS . . . . . 0.501 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 15.4 m170 -70.5 -37.26 74.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.331 179.643 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -52.47 65.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.311 -179.508 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.74 -8.31 58.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.943 179.769 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 692' ' ' TRP . . . . . 0.465 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 7.0 t-105 -45.77 -44.15 13.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.753 -179.532 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . 0.54 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.1 OUTLIER -53.06 -41.63 65.01 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.767 0.318 . . . . 0.0 111.359 -179.481 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 694' ' ' LYS . . . . . 0.473 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 22.0 mtmm -87.02 -47.6 8.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.917 0.389 . . . . 0.0 111.344 -179.889 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 695' ' ' HIS . . . . . 0.45 ' CE1' ' CB ' ' A' ' 680' ' ' ALA . 72.8 t60 -59.12 -41.0 87.17 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -178.595 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 696' ' ' HIS . . . . . 0.546 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 3.6 p80 -54.72 -29.4 53.24 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -178.585 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 697' ' ' HIS . . . . . 0.546 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 69.4 m-70 -61.66 -31.69 71.81 Favored 'General case' 0 C--N 1.333 -0.111 0 C-N-CA 120.431 -0.508 . . . . 0.0 109.865 178.396 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.7 mt -92.22 -54.97 6.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.983 -178.81 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.2 t -36.35 154.45 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 -179.243 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 69.4 10.48 63.12 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.749 -0.66 . . . . 0.0 113.042 179.834 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 54.12 81.65 0.1 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.759 0.314 . . . . 0.0 111.162 179.92 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.47 -170.44 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.952 179.882 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 1.6 tt -71.11 91.89 0.94 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.815 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -81.61 160.63 23.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.061 -179.915 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -81.65 -176.2 5.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.993 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -146.51 91.41 2.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.971 179.978 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 10.2 m-20 . . . . . 0 CA--C 1.529 0.149 0 CA-C-O 120.544 0.211 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B 1105 ' ' PRO . . . . . 0.428 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 44.9 Cg_endo -68.16 155.64 68.73 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.46 2.107 . . . . 0.0 112.282 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -52.07 168.77 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.576 2.184 . . . . 0.0 112.282 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.02 158.35 56.89 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.538 2.159 . . . . 0.0 112.475 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 12.1 mt -97.26 145.98 25.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1109 ' ' ILE . . . . . 0.573 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -113.93 122.92 69.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.95 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.3 127.57 38.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.84 0.352 . . . . 0.0 110.824 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 36.9 t . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.475 179.669 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 662' ' ' SER . . . . . 0.442 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.827 0.346 . . . . 0.0 110.934 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.574 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 5.9 t -66.3 125.79 26.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.452 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.4 m0 -63.64 -20.99 66.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.505 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -101.35 -63.6 1.13 Allowed 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.357 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.515 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.1 m -55.06 -61.36 2.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.543 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.4 23.95 8.14 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.42 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -127.22 -65.79 0.92 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.725 0.297 . . . . 0.0 110.837 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 669' ' ' LYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -157.0 151.97 26.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.14 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.574 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -141.35 143.05 33.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.128 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 16.0 p -119.78 -6.12 10.13 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.694 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 672' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 682' ' ' TYR . 4.8 mm-40 -109.68 157.88 18.65 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.887 0.375 . . . . 0.0 110.347 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 673' ' ' THR . . . . . 0.573 ' HB ' HG13 ' B' 1109 ' ' ILE . 53.6 m -132.36 139.55 48.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.499 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.655 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 41.4 t -68.78 106.09 2.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.239 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 24.7 p -66.41 -9.85 37.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.182 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -75.67 -50.94 7.54 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.455 -0.878 . . . . 0.0 112.275 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 24.4 p -108.92 -11.75 14.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.714 0.293 . . . . 0.0 111.127 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 59.86 23.59 12.59 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.927 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 95.8 m -122.26 -37.05 2.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.981 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.976 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.91 155.41 38.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.769 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 16.0 mmm-85 -138.32 141.73 39.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.482 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 682' ' ' TYR . . . . . 0.435 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 91.2 m-85 -152.3 148.45 27.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.565 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.459 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.3 p -93.37 -18.02 22.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.446 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.37 150.07 22.04 Favored Glycine 0 C--N 1.334 0.452 0 C-N-CA 120.186 -1.006 . . . . 0.0 112.998 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.65 -32.12 12.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.634 0.254 . . . . 0.0 111.519 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -72.48 -35.55 68.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.765 0.317 . . . . 0.0 110.618 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 35.8 m -63.03 -42.93 99.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.429 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 688' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -65.02 -37.7 88.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.87 -179.742 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 689' ' ' HIS . . . . . 0.46 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 0.3 OUTLIER -70.31 -37.89 74.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.801 0.334 . . . . 0.0 111.357 179.744 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -52.3 65.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.87 -10.24 57.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.144 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.455 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 8.8 t-105 -44.95 -45.19 10.34 Favored 'General case' 0 N--CA 1.461 0.113 0 N-CA-C 111.857 0.318 . . . . 0.0 111.857 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.522 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.4 OUTLIER -52.86 -41.12 64.0 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.788 0.328 . . . . 0.0 111.413 -179.496 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 16.3 mtmt -87.14 -47.7 8.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.39 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.976 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 75.6 t60 -59.0 -42.09 89.22 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.596 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.522 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.3 p-80 -54.63 -29.3 51.76 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 697' ' ' HIS . . . . . 0.49 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 29.8 m80 -60.71 -30.73 70.13 Favored 'General case' 0 C--N 1.334 -0.067 0 C-N-CA 120.495 -0.482 . . . . 0.0 109.721 178.156 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.5 mt -93.56 -53.74 8.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.816 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.463 0.221 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -179.245 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 83.4 m-20 . . . . . 0 CA--C 1.529 0.168 0 CA-C-O 120.555 0.217 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B 1105 ' ' PRO . . . . . 0.442 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 37.9 Cg_endo -66.52 171.18 11.04 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.458 2.106 . . . . 0.0 112.348 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1106 ' ' PRO . . . . . 0.406 ' HG3' ' HA3' ' A' ' 676' ' ' GLY . 63.6 Cg_endo -73.73 170.59 19.67 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.685 2.257 . . . . 0.0 112.369 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.67 156.27 61.28 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.559 2.173 . . . . 0.0 112.397 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 16.1 mt -96.26 145.75 25.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.781 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1109 ' ' ILE . . . . . 0.581 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -115.46 122.92 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.006 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.87 127.76 35.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 20.2 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 662' ' ' SER . . . . . 0.437 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.777 0.322 . . . . 0.0 110.993 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.545 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 5.7 t -68.47 125.46 26.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.035 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.46 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.6 m0 -63.48 -20.32 65.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.481 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -102.37 -62.5 1.26 Allowed 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.455 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.525 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.7 m -55.71 -60.25 3.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.64 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 102.43 19.17 14.51 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.464 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -121.39 -66.44 1.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.784 0.326 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 669' ' ' LYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -157.43 152.61 25.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.157 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.545 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.09 143.22 32.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.135 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 3.2 m -120.75 -4.91 9.69 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.753 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -109.75 156.42 20.33 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.815 0.34 . . . . 0.0 110.379 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 673' ' ' THR . . . . . 0.581 ' HB ' HG13 ' B' 1109 ' ' ILE . 52.5 m -131.21 139.52 49.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.55 -178.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.642 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 41.3 t -69.34 107.72 3.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.233 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 83.0 p -67.73 -9.84 47.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.108 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 676' ' ' GLY . . . . . 0.406 ' HA3' ' HG3' ' B' 1106 ' ' PRO . . . -76.28 -49.21 8.56 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.311 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 25.6 p -110.7 -12.19 14.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.618 0.247 . . . . 0.0 111.075 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 3.2 m120 59.99 23.87 13.02 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.996 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 97.4 m -122.59 -37.02 2.83 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.971 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.07 155.27 39.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.759 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -138.2 141.81 40.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.544 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 682' ' ' TYR . . . . . 0.429 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 90.5 m-85 -152.34 148.07 27.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.612 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.448 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.8 p -92.66 -18.96 22.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.409 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -148.92 148.7 20.35 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 120.214 -0.993 . . . . 0.0 112.746 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 7.1 t -49.25 -33.45 12.81 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.711 0.291 . . . . 0.0 111.355 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -70.7 -35.39 72.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.805 0.336 . . . . 0.0 110.516 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 58.5 m -63.1 -42.24 99.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.406 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 688' ' ' GLN . . . . . 0.48 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -64.99 -37.14 86.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.853 -179.741 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 689' ' ' HIS . . . . . 0.48 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 0.4 OUTLIER -70.47 -37.4 74.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.783 0.325 . . . . 0.0 111.396 179.868 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -52.36 65.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.132 0.491 . . . . 0.0 111.211 -179.566 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.06 -10.11 57.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.101 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.442 ' CE2' ' HB3' ' B' 1105 ' ' PRO . 9.1 t-105 -45.18 -45.56 11.62 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.579 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.2 OUTLIER -53.03 -40.47 63.94 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.737 0.303 . . . . 0.0 111.193 -179.331 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -87.09 -48.22 8.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.897 0.379 . . . . 0.0 111.321 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.971 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 75.4 t60 -58.13 -41.59 84.02 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -178.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.579 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.4 p-80 -54.63 -29.45 52.11 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -178.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 697' ' ' HIS . . . . . 0.537 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 22.4 m80 -60.85 -31.85 71.28 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.389 -0.525 . . . . 0.0 109.768 178.268 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.8 mt -91.12 -54.6 7.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.872 -178.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 N--CA 1.463 0.215 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.386 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 80.6 m-20 . . . . . 0 CA--C 1.529 0.143 0 CA-C-O 120.48 0.181 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B 1105 ' ' PRO . . . . . 0.482 ' HB3' ' CD2' ' A' ' 692' ' ' TRP . 29.3 Cg_endo -64.89 171.97 7.85 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.382 2.055 . . . . 0.0 112.363 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1106 ' ' PRO . . . . . 0.434 ' HG3' ' HA3' ' A' ' 676' ' ' GLY . 59.3 Cg_endo -71.87 163.58 38.4 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.647 2.231 . . . . 0.0 111.89 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 161.29 46.49 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.38 2.053 . . . . 0.0 112.362 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1108 ' ' LEU . . . . . 0.43 ' HB3' ' HB3' ' A' ' 672' ' ' GLU . 10.3 mt -99.63 148.14 24.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.048 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1109 ' ' ILE . . . . . 0.571 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.0 OUTLIER -115.29 123.16 70.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.785 179.814 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.45 129.64 34.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.021 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 46.4 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.938 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 662' ' ' SER . . . . . 0.446 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.784 0.326 . . . . 0.0 110.897 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.553 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 6.0 t -69.26 126.55 30.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.219 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.488 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.1 m0 -63.17 -26.28 68.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.522 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 665' ' ' ASN . . . . . 0.404 ' OD1' ' HE2' ' A' ' 690' ' ' LYS . 1.7 t30 -96.97 -62.68 1.22 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.4 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.551 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 64.1 m -54.9 -60.63 3.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.492 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.13 22.77 8.97 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.347 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.46 -72.36 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.695 0.283 . . . . 0.0 110.852 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 669' ' ' LYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 8.1 mmtt -150.12 150.17 31.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.079 0.466 . . . . 0.0 111.373 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.553 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -140.72 143.08 34.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.987 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 26.1 t -118.79 -6.1 10.6 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 672' ' ' GLU . . . . . 0.43 ' HB3' ' HB3' ' B' 1108 ' ' LEU . 4.3 mm-40 -109.72 159.92 16.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.8 0.333 . . . . 0.0 110.493 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 673' ' ' THR . . . . . 0.571 ' HB ' HG13 ' B' 1109 ' ' ILE . 52.9 m -135.02 139.74 45.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.592 -178.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.697 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 45.5 t -66.8 104.53 1.35 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.169 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 86.4 p -66.73 -9.77 40.0 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 676' ' ' GLY . . . . . 0.434 ' HA3' ' HG3' ' B' 1106 ' ' PRO . . . -79.32 -45.5 8.75 Favored Glycine 0 C--N 1.33 0.22 0 C-N-CA 120.432 -0.89 . . . . 0.0 112.523 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 12.5 p -110.1 -14.63 14.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.806 0.336 . . . . 0.0 110.959 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 4.6 m120 60.85 22.16 12.26 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.057 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 79.0 m -121.85 -37.1 2.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.909 0.385 . . . . 0.0 111.982 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.978 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.99 155.41 38.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.933 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -138.34 141.42 39.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.343 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 682' ' ' TYR . . . . . 0.417 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 95.2 m-85 -152.57 147.62 26.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.827 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.44 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 18.7 p -91.76 -19.84 22.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.167 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -152.26 152.39 24.11 Favored Glycine 0 C--N 1.334 0.471 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.838 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 685' ' ' SER . . . . . 0.444 ' O ' ' HG2' ' A' ' 688' ' ' GLN . 83.5 p -49.69 -33.12 14.92 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.808 0.337 . . . . 0.0 111.324 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -65.03 -41.39 95.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.952 0.406 . . . . 0.0 110.241 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 21.1 m -63.61 -45.09 91.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.469 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 688' ' ' GLN . . . . . 0.486 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 1.7 pt20 -61.82 -42.89 99.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.742 0.306 . . . . 0.0 110.562 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 689' ' ' HIS . . . . . 0.486 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 1.5 m-70 -70.37 -37.29 74.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.392 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 690' ' ' LYS . . . . . 0.404 ' HE2' ' OD1' ' A' ' 665' ' ' ASN . 0.0 OUTLIER -57.32 -52.58 64.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.006 0.432 . . . . 0.0 111.423 -179.302 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.85 -8.41 58.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.044 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.483 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 7.6 t-105 -45.44 -44.63 12.33 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.376 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.599 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.6 OUTLIER -52.99 -41.82 64.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.791 0.329 . . . . 0.0 111.328 -179.489 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 12.5 mtmm -87.3 -47.74 8.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.042 0.449 . . . . 0.0 111.099 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.978 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 60.3 t60 -58.8 -40.19 83.35 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -178.497 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.599 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.4 p-80 -54.39 -28.82 46.04 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -178.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 697' ' ' HIS . . . . . 0.424 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 24.3 m80 -60.29 -32.22 70.99 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.588 178.53 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.2 pt -106.59 -3.74 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -178.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 699' ' ' CYS . . . . . 0.404 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . 1.8 t . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.938 0.399 . . . . 0.0 111.271 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1104 ' ' ASN . . . . . 0.485 ' HA ' ' HD3' ' B' 1105 ' ' PRO . 12.5 m-20 . . . . . 0 CA--C 1.53 0.176 0 CA-C-O 120.387 0.137 . . . . 0.0 110.689 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1105 ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' B' 1104 ' ' ASN . 2.3 Cg_endo -82.95 151.75 14.33 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.564 2.176 . . . . 0.0 112.092 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -52.1 168.53 0.37 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.523 2.149 . . . . 0.0 112.166 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -69.43 160.67 48.89 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.603 2.202 . . . . 0.0 112.45 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1108 ' ' LEU . . . . . 0.474 HD11 ' HG2' ' A' ' 688' ' ' GLN . 19.8 mt -97.44 146.91 24.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.845 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1109 ' ' ILE . . . . . 0.572 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.1 pt -114.22 122.93 69.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.933 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 4.8 p -84.12 133.61 34.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 47.4 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.914 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 662' ' ' SER . . . . . 0.447 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 13.2 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.8 0.333 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.578 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 8.0 t -69.36 127.14 31.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.053 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.49 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.5 m0 -63.17 -26.69 68.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.553 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -96.46 -62.62 1.24 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.52 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.539 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 69.7 m -55.07 -60.55 3.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.48 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 102.79 24.85 7.9 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -129.22 -70.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.64 0.257 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 669' ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 11.2 mmtp -150.8 149.35 29.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.017 0.437 . . . . 0.0 111.423 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.578 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -140.49 142.83 35.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.961 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 6.9 m -119.67 -5.53 10.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.735 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -109.68 159.14 17.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.877 0.37 . . . . 0.0 110.446 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 673' ' ' THR . . . . . 0.572 ' HB ' HG13 ' B' 1109 ' ' ILE . 86.0 m -135.49 139.55 44.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.511 -178.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.628 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 41.8 t -66.44 103.56 1.07 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.126 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 79.3 p -65.2 -10.06 28.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.184 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -78.54 -43.96 11.54 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.429 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 22.7 p -113.49 -14.14 12.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.662 0.268 . . . . 0.0 111.267 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 60.48 23.49 13.13 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.049 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 80.3 m -122.08 -37.45 2.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.916 0.388 . . . . 0.0 111.933 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.938 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -75.19 155.21 37.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.819 -179.416 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -138.3 141.79 39.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.5 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 682' ' ' TYR . . . . . 0.452 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 90.0 m-85 -152.32 148.02 27.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.6 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.461 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 19.7 p -92.85 -18.27 23.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.458 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.37 150.9 23.0 Favored Glycine 0 C--N 1.334 0.444 0 C-N-CA 120.155 -1.021 . . . . 0.0 113.258 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 685' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' A' ' 688' ' ' GLN . 19.0 p -51.8 -22.78 3.94 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -81.32 -34.72 31.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.77 0.319 . . . . 0.0 110.566 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 16.3 m -64.27 -43.89 93.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.252 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 688' ' ' GLN . . . . . 0.474 ' HG2' HD11 ' B' 1108 ' ' LEU . 1.5 pp0? -61.62 -42.36 98.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.732 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 689' ' ' HIS . . . . . 0.412 ' HA ' ' HB2' ' A' ' 692' ' ' TRP . 0.0 OUTLIER -68.63 -37.15 79.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.482 179.84 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -52.38 65.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.064 0.459 . . . . 0.0 111.225 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.24 -10.31 56.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.054 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.433 ' CD2' ' HG3' ' B' 1105 ' ' PRO . 11.7 t-105 -45.41 -44.18 11.83 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.545 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.2 OUTLIER -52.96 -41.52 64.62 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.657 0.265 . . . . 0.0 111.392 -179.291 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 3.9 mtmm -87.13 -47.68 8.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.911 0.386 . . . . 0.0 111.232 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.938 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 57.1 t60 -57.41 -43.09 83.44 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.717 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.545 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.4 p-80 -54.55 -28.79 48.23 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -178.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 697' ' ' HIS . . . . . 0.414 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 31.5 m170 -60.97 -24.99 66.52 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.391 178.369 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.33 -6.04 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -178.523 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 699' ' ' CYS . . . . . 0.408 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . 2.1 t . . . . . 0 C--N 1.326 -0.451 0 CA-C-O 120.865 0.364 . . . . 0.0 111.012 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 3.0 m-80 . . . . . 0 CA--C 1.528 0.128 0 CA-C-O 120.562 0.22 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B 1105 ' ' PRO . . . . . 0.427 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 37.7 Cg_endo -65.97 171.66 9.65 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.401 2.067 . . . . 0.0 112.404 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1106 ' ' PRO . . . . . 0.405 ' HG3' ' HA3' ' A' ' 676' ' ' GLY . 58.3 Cg_endo -71.94 170.91 17.71 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.701 2.267 . . . . 0.0 112.319 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.65 156.57 60.77 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.61 2.206 . . . . 0.0 112.395 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 20.4 mt -96.44 145.83 25.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.803 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1109 ' ' ILE . . . . . 0.575 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -116.08 122.99 70.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 36.4 p -81.49 129.7 34.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 61.1 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 -179.943 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 662' ' ' SER . . . . . 0.484 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.835 0.35 . . . . 0.0 111.046 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.535 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 5.7 t -65.95 125.82 26.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.006 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.475 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.9 m0 -63.14 -20.16 65.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.48 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -103.22 -62.67 1.26 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.457 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.519 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.7 m -55.44 -60.43 3.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.645 -179.122 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.55 23.46 9.46 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.437 -0.887 . . . . 0.0 112.405 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.42 -62.01 1.23 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.748 0.309 . . . . 0.0 110.838 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 669' ' ' LYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -163.12 153.17 15.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.104 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.535 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.46 143.86 32.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.175 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 60.7 m -120.64 -4.89 9.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.672 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -109.66 157.99 18.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.822 0.344 . . . . 0.0 110.454 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 673' ' ' THR . . . . . 0.575 ' HB ' HG13 ' B' 1109 ' ' ILE . 61.9 m -133.22 139.46 47.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.569 -178.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.656 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 39.1 t -68.94 106.94 2.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.165 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 85.4 p -67.12 -9.73 42.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.16 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 676' ' ' GLY . . . . . 0.405 ' HA3' ' HG3' ' B' 1106 ' ' PRO . . . -76.49 -48.75 8.8 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.473 -0.87 . . . . 0.0 112.303 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 25.1 p -110.99 -12.39 14.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.632 0.253 . . . . 0.0 111.166 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.4 m120 60.17 23.68 13.0 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.75 0.31 . . . . 0.0 110.965 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 97.2 m -122.28 -37.06 2.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.927 0.394 . . . . 0.0 112.013 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.988 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.58 154.78 39.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.721 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -138.28 141.73 39.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.521 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 682' ' ' TYR . . . . . 0.431 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 91.0 m-85 -152.36 148.52 27.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.695 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.436 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.0 p -93.0 -18.55 22.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.409 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.55 149.32 21.25 Favored Glycine 0 C--N 1.334 0.417 0 C-N-CA 120.237 -0.982 . . . . 0.0 112.887 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 8.6 t -50.12 -30.66 11.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.709 0.29 . . . . 0.0 111.534 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -73.42 -35.46 65.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.759 0.314 . . . . 0.0 110.49 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 40.9 m -63.44 -42.22 98.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.391 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 688' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -64.95 -37.51 87.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.864 -179.756 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 689' ' ' HIS . . . . . 0.458 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 0.3 OUTLIER -70.43 -37.39 74.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.797 0.332 . . . . 0.0 111.43 179.806 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -52.5 65.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.128 0.49 . . . . 0.0 111.226 -179.605 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.01 -10.08 57.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.105 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.439 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 9.7 t-105 -45.09 -45.31 11.0 Favored 'General case' 0 CA--C 1.527 0.083 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.522 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.534 ' O ' ' CE1' ' A' ' 697' ' ' HIS . 0.3 OUTLIER -52.89 -40.87 63.84 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.762 0.315 . . . . 0.0 111.281 -179.518 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -87.18 -47.9 8.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.414 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.988 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 78.2 t60 -59.29 -41.52 89.13 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.509 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.523 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.3 p-80 -54.59 -29.36 51.33 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 697' ' ' HIS . . . . . 0.534 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 27.1 m80 -61.11 -31.56 71.25 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.464 -0.495 . . . . 0.0 109.689 178.118 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.7 mt -90.92 -54.75 7.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.737 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 N--CA 1.464 0.231 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -179.358 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 2.6 m-80 . . . . . 0 CA--C 1.529 0.138 0 CA-C-O 120.551 0.215 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B 1105 ' ' PRO . . . . . 0.453 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 32.6 Cg_endo -65.01 172.05 7.88 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.364 2.043 . . . . 0.0 112.354 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1106 ' ' PRO . . . . . 0.421 ' HG3' ' HA3' ' A' ' 676' ' ' GLY . 71.9 Cg_endo -74.62 170.02 21.24 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.668 2.245 . . . . 0.0 112.302 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.16 156.67 59.08 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.514 2.143 . . . . 0.0 112.315 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1108 ' ' LEU . . . . . 0.704 HD11 ' HG2' ' A' ' 688' ' ' GLN . 45.6 mt -96.45 145.75 25.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1109 ' ' ILE . . . . . 0.578 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -115.62 123.01 70.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 78.6 p -83.47 128.42 34.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 66.5 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 662' ' ' SER . . . . . 0.468 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.837 0.351 . . . . 0.0 111.062 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.564 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 5.1 t -65.14 125.64 25.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.159 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.504 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.4 m0 -62.25 -20.94 64.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.563 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 665' ' ' ASN . . . . . 0.402 ' OD1' ' HE2' ' A' ' 690' ' ' LYS . 3.2 t30 -103.92 -61.99 1.36 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.574 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.537 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 58.8 m -54.69 -61.37 2.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.633 -179.112 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 102.66 24.08 8.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.289 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.24 -62.84 1.08 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.691 0.282 . . . . 0.0 110.932 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 669' ' ' LYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -161.23 152.71 19.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.96 0.41 . . . . 0.0 111.22 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.564 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.6 143.96 32.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.04 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.3 m -120.46 -5.11 9.83 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -109.67 158.51 18.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.867 0.365 . . . . 0.0 110.546 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 673' ' ' THR . . . . . 0.578 ' HB ' HG13 ' B' 1109 ' ' ILE . 86.8 m -133.87 139.51 46.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.585 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.667 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 42.4 t -68.2 106.57 2.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.209 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 84.3 p -67.85 -9.33 43.77 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 676' ' ' GLY . . . . . 0.421 ' HA3' ' HG3' ' B' 1106 ' ' PRO . . . -79.15 -45.23 9.06 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.451 -0.88 . . . . 0.0 112.423 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 19.2 p -111.64 -14.7 13.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.775 0.321 . . . . 0.0 111.087 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 3.2 m120 60.87 22.85 12.92 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.014 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 94.3 m -121.74 -36.97 2.94 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.968 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.93 154.37 39.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.971 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -138.29 141.31 39.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.417 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 682' ' ' TYR . . . . . 0.453 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 91.7 m-85 -152.87 148.89 27.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.73 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 18.7 p -92.24 -18.81 22.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.264 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -151.92 152.26 24.03 Favored Glycine 0 C--N 1.334 0.465 0 C-N-CA 120.372 -0.918 . . . . 0.0 112.98 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 685' ' ' SER . . . . . 0.445 ' O ' ' HG3' ' A' ' 688' ' ' GLN . 4.3 t -53.0 -22.11 5.27 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.599 0.238 . . . . 0.0 111.55 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -75.96 -41.43 51.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.006 0.431 . . . . 0.0 110.15 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 18.4 m -63.08 -44.97 94.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.609 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 688' ' ' GLN . . . . . 0.704 ' HG2' HD11 ' B' 1108 ' ' LEU . 1.4 pp0? -61.73 -42.31 98.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.621 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 689' ' ' HIS . . . . . 0.43 ' HA ' ' HB2' ' A' ' 692' ' ' TRP . 0.1 OUTLIER -69.05 -37.21 78.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.821 0.343 . . . . 0.0 111.209 179.635 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 690' ' ' LYS . . . . . 0.402 ' HE2' ' OD1' ' A' ' 665' ' ' ASN . 0.0 OUTLIER -57.25 -52.53 64.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.245 -179.605 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.98 -9.02 58.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.08 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.462 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 8.3 t-105 -45.11 -44.54 10.59 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.589 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.7 OUTLIER -52.89 -42.07 64.96 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.816 0.341 . . . . 0.0 111.282 -179.362 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 20.5 mtmm -87.32 -47.27 8.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.895 0.378 . . . . 0.0 111.254 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.968 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 59.5 t60 -59.4 -40.03 85.33 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.455 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.589 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.4 p-80 -54.26 -29.07 45.68 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -178.572 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 697' ' ' HIS . . . . . 0.442 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 24.2 m80 -60.35 -32.2 71.03 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.481 178.558 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 3.1 pt -105.34 -3.76 9.78 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -178.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 699' ' ' CYS . . . . . 0.423 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . 1.8 t . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 120.955 0.407 . . . . 0.0 111.28 -179.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 15.6 m120 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.525 0.202 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B 1105 ' ' PRO . . . . . 0.462 ' HB3' ' CZ2' ' A' ' 692' ' ' TRP . 56.6 Cg_endo -70.91 159.27 53.08 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.513 2.142 . . . . 0.0 112.431 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -55.89 173.18 0.43 Allowed 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.617 2.211 . . . . 0.0 112.187 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -73.84 160.08 44.04 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.617 2.211 . . . . 0.0 112.645 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1108 ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 673' ' ' THR . 7.0 mt -95.54 144.92 25.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.704 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1109 ' ' ILE . . . . . 0.576 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -114.77 122.87 69.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.978 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 53.2 p -90.32 129.9 36.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 93.3 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 662' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.824 0.345 . . . . 0.0 110.931 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 6.2 t -68.24 125.78 27.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.012 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.482 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 16.1 m0 -63.39 -20.15 65.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.522 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -102.59 -62.82 1.22 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.503 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.516 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 65.6 m -55.39 -61.11 2.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.644 -179.209 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.22 22.58 10.45 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.352 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.77 -60.37 1.38 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.845 0.355 . . . . 0.0 110.819 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 669' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -164.41 152.98 12.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.496 ' HB2' ' CA ' ' A' ' 663' ' ' CYS . . . -143.02 143.68 31.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.232 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.4 m -120.16 -5.07 9.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.687 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -109.69 157.61 18.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.878 0.37 . . . . 0.0 110.512 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 673' ' ' THR . . . . . 0.576 ' HB ' HG13 ' B' 1109 ' ' ILE . 65.7 m -131.8 139.42 48.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.45 -178.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.707 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 44.3 t -69.13 107.04 3.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.237 179.515 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 27.0 p -67.43 -10.24 49.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.017 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -74.39 -53.33 6.81 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.137 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.0 p -107.89 -10.56 15.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.687 0.279 . . . . 0.0 111.118 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 29.5 m120 60.29 23.81 13.25 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.096 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 97.3 m -122.64 -36.99 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.973 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -72.92 154.95 40.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.802 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -138.33 141.81 39.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.392 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 682' ' ' TYR . . . . . 0.446 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 90.6 m-85 -152.34 148.46 27.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.728 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.434 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 21.4 p -92.09 -19.44 22.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.21 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.5 149.96 21.9 Favored Glycine 0 C--N 1.334 0.434 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.538 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 1.4 p -47.81 -39.04 17.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.668 0.27 . . . . 0.0 111.4 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -64.34 -36.36 83.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 38.7 m -64.05 -44.07 93.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.882 0.373 . . . . 0.0 111.122 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 688' ' ' GLN . . . . . 0.516 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -62.9 -40.6 98.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.658 -179.835 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 689' ' ' HIS . . . . . 0.516 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 0.5 OUTLIER -69.91 -37.02 75.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.359 179.784 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -52.23 66.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.124 0.488 . . . . 0.0 111.187 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.9 -9.81 57.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.0 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.482 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 7.8 t-105 -45.26 -44.86 11.59 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.62 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.567 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.5 OUTLIER -52.89 -41.58 64.5 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.796 0.331 . . . . 0.0 111.245 -179.55 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm -87.07 -48.08 8.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.235 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.973 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 69.0 t60 -57.54 -42.02 82.1 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -178.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.567 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.3 p-80 -54.74 -29.09 52.73 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -178.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 697' ' ' HIS . . . . . 0.426 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 30.0 m80 -61.06 -31.59 71.24 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.537 -0.465 . . . . 0.0 109.823 178.146 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.6 mt -92.58 -54.92 6.69 Favored 'Isoleucine or valine' 0 C--O 1.231 0.104 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.919 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.464 0.246 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -179.227 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 2.0 m120 . . . . . 0 CA--C 1.53 0.197 0 CA-C-O 120.474 0.178 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B 1105 ' ' PRO . . . . . 0.429 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 38.1 Cg_endo -66.75 157.88 58.92 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.385 2.056 . . . . 0.0 112.347 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1106 ' ' PRO . . . . . 0.401 ' HG2' ' HA3' ' A' ' 676' ' ' GLY . 51.0 Cg_exo -53.43 170.21 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.659 2.239 . . . . 0.0 112.219 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.67 158.71 54.98 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.587 2.192 . . . . 0.0 112.528 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 10.5 mt -96.59 145.95 25.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1109 ' ' ILE . . . . . 0.58 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -114.86 122.93 69.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.802 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.59 128.93 34.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.84 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 83.3 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.927 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 662' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.787 0.327 . . . . 0.0 110.95 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.551 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 7.4 t -66.82 125.88 27.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.032 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.472 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.3 m0 -62.28 -23.4 66.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.604 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -100.48 -62.49 1.23 Allowed 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.578 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.53 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 64.1 m -55.06 -61.23 2.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.592 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 102.08 24.09 8.73 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.401 -0.904 . . . . 0.0 112.377 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.71 -64.28 1.03 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 0.0 110.821 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 669' ' ' LYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -159.32 152.0 21.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.057 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.551 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.19 143.47 32.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.141 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.7 m -120.27 -5.03 9.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.72 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -109.7 157.52 19.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.902 0.382 . . . . 0.0 110.416 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 673' ' ' THR . . . . . 0.58 ' HB ' HG13 ' B' 1109 ' ' ILE . 68.0 m -133.65 139.46 46.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.445 -178.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.67 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 42.8 t -67.88 106.08 2.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.19 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 22.8 p -67.44 -9.6 43.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.121 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 676' ' ' GLY . . . . . 0.401 ' HA3' ' HG2' ' B' 1106 ' ' PRO . . . -78.51 -46.53 8.76 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.409 -0.9 . . . . 0.0 112.432 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 17.9 p -110.89 -14.08 14.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.734 0.302 . . . . 0.0 111.106 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 5.1 m120 60.73 22.52 12.45 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.953 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 94.7 m -121.49 -37.09 2.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.97 0.415 . . . . 0.0 111.985 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.963 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -74.14 154.11 39.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.987 -179.354 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 12.0 mmm-85 -138.32 141.63 39.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.449 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 682' ' ' TYR . . . . . 0.432 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 90.7 m-85 -152.41 148.88 27.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.792 0.329 . . . . 0.0 110.681 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.435 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.0 p -92.92 -18.59 22.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.298 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.0 150.25 22.28 Favored Glycine 0 C--N 1.334 0.433 0 C-N-CA 120.189 -1.005 . . . . 0.0 112.869 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 10.9 p -50.05 -31.1 12.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.634 0.254 . . . . 0.0 111.559 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -73.09 -35.77 66.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.663 0.268 . . . . 0.0 110.648 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 35.5 m -63.45 -42.71 98.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.471 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 688' ' ' GLN . . . . . 0.463 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -64.34 -37.79 88.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.937 -179.687 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 689' ' ' HIS . . . . . 0.463 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 0.4 OUTLIER -70.37 -37.36 74.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.784 0.326 . . . . 0.0 111.496 179.867 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -52.4 65.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.113 0.482 . . . . 0.0 111.24 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.06 -9.92 57.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.104 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.45 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 9.8 t-105 -45.49 -44.75 12.72 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.584 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.2 OUTLIER -52.86 -43.13 65.85 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.659 0.266 . . . . 0.0 111.489 -179.162 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -87.17 -45.01 11.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.831 0.348 . . . . 0.0 111.326 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.963 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 62.8 t60 -61.14 -39.97 92.09 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -178.559 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.584 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.4 p-80 -54.38 -29.04 47.23 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -178.506 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 697' ' ' HIS . . . . . 0.436 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 24.0 m80 -60.25 -31.62 70.37 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.349 178.481 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 698' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 695' ' ' HIS . 3.1 pt -105.53 -3.56 9.81 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -178.505 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 699' ' ' CYS . . . . . 0.44 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . 1.8 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.012 0.434 . . . . 0.0 111.359 -179.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 CA--C 1.529 0.152 0 CA-C-O 120.566 0.222 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B 1105 ' ' PRO . . . . . 0.432 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 39.3 Cg_endo -66.99 149.63 82.8 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.381 2.054 . . . . 0.0 112.371 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.11 171.26 0.39 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.545 2.163 . . . . 0.0 112.168 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.77 158.52 55.39 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.542 2.161 . . . . 0.0 112.453 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 14.1 mt -96.34 145.96 25.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.822 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1109 ' ' ILE . . . . . 0.578 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -115.07 122.89 70.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.888 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 2.0 p -85.26 128.74 34.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 662' ' ' SER . . . . . 0.433 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.804 0.335 . . . . 0.0 111.021 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.579 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 6.7 t -64.38 126.21 27.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.449 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.0 m0 -62.43 -21.88 65.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.576 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -101.97 -62.58 1.24 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.597 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.537 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 69.2 m -55.05 -61.46 2.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.612 -179.273 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.25 24.8 7.74 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.391 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -128.16 -65.48 0.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.837 0.351 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 669' ' ' LYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -157.04 152.1 26.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.095 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.579 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -141.93 143.31 33.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.07 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 26.2 t -120.54 -5.54 9.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.691 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -109.74 157.35 19.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.91 0.386 . . . . 0.0 110.443 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 673' ' ' THR . . . . . 0.578 ' HB ' HG13 ' B' 1109 ' ' ILE . 54.0 m -132.94 139.43 47.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.424 -178.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.699 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 42.3 t -67.96 106.04 2.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.204 179.399 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 16.9 p -66.89 -9.91 42.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 112.198 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -78.13 -46.88 8.82 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.369 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 18.6 p -110.87 -13.61 14.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.68 0.276 . . . . 0.0 111.087 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 16.4 m120 60.29 22.65 12.1 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.006 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 99.7 m -121.45 -36.81 3.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.975 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.966 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -74.03 153.99 39.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.891 -179.345 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -138.3 141.78 39.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.507 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 682' ' ' TYR . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 91.5 m-85 -152.38 148.89 28.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.702 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.419 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.9 p -92.87 -17.96 23.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.448 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.82 149.71 21.68 Favored Glycine 0 C--N 1.334 0.44 0 C-N-CA 120.273 -0.965 . . . . 0.0 112.805 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 17.8 p -49.09 -34.4 13.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.688 0.28 . . . . 0.0 111.45 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -70.51 -35.1 73.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.75 0.31 . . . . 0.0 110.738 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 58.3 m -63.4 -42.55 98.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.479 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 688' ' ' GLN . . . . . 0.479 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -65.13 -37.92 88.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.966 -179.765 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 689' ' ' HIS . . . . . 0.479 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 0.3 OUTLIER -70.32 -37.47 74.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.798 0.332 . . . . 0.0 111.289 179.728 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.39 -52.4 65.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.06 0.457 . . . . 0.0 111.115 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.98 -10.1 57.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.106 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.449 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 10.1 t-105 -45.56 -43.13 11.74 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.596 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.5 OUTLIER -52.83 -47.74 67.48 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -178.83 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 694' ' ' LYS . . . . . 0.404 ' N ' ' CG ' ' A' ' 693' ' ' GLU . 0.0 OUTLIER -86.85 -36.77 18.27 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.597 -179.463 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.966 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 61.4 t60 -67.05 -39.4 86.9 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -178.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.596 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.5 p-80 -54.43 -28.99 47.87 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -178.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 697' ' ' HIS . . . . . 0.439 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 23.3 m80 -60.49 -30.71 69.87 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.37 178.394 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.9 pt -106.51 -3.55 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -178.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 699' ' ' CYS . . . . . 0.451 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . 1.8 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.359 . . . . 0.0 111.361 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 18.2 m120 . . . . . 0 CA--C 1.528 0.125 0 CA-C-O 120.616 0.245 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B 1105 ' ' PRO . . . . . 0.478 ' HB3' ' CD2' ' A' ' 692' ' ' TRP . 39.8 Cg_endo -68.14 152.19 76.47 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.432 2.088 . . . . 0.0 112.442 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.25 168.13 0.65 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.344 2.03 . . . . 0.0 111.898 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.52 163.32 38.89 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.47 2.113 . . . . 0.0 112.635 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1108 ' ' LEU . . . . . 0.608 HD11 ' HB3' ' A' ' 688' ' ' GLN . 61.4 mt -98.89 147.8 24.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1109 ' ' ILE . . . . . 0.571 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.2 pt -115.72 122.89 70.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.85 130.85 34.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 77.9 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 -179.951 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 662' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.811 0.338 . . . . 0.0 111.045 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.506 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 6.9 t -65.29 126.57 28.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.012 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.446 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.6 m0 -64.56 -17.45 63.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.457 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -103.99 -63.39 1.2 Allowed 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.313 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.487 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 92.2 m -55.88 -61.63 2.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.494 -179.319 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.0 23.51 8.56 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.432 -0.889 . . . . 0.0 112.413 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.02 -62.4 1.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.856 0.36 . . . . 0.0 110.816 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 669' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -161.05 153.08 19.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.043 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.506 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.1 143.33 33.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.099 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 2.0 t -119.54 -6.25 10.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.68 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -109.74 157.99 18.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.865 0.364 . . . . 0.0 110.365 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 673' ' ' THR . . . . . 0.571 ' HB ' HG13 ' B' 1109 ' ' ILE . 67.3 m -132.51 139.43 47.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.476 -178.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.659 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 43.6 t -67.98 105.66 2.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.212 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 97.2 p -66.41 -10.19 41.31 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.125 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -76.52 -49.31 8.21 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.457 -0.878 . . . . 0.0 112.346 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 23.0 p -109.92 -12.3 14.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.626 0.251 . . . . 0.0 111.102 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 2.8 m120 60.08 23.0 12.22 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.032 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 96.0 m -121.97 -37.12 2.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.918 0.389 . . . . 0.0 112.005 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.958 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.64 156.21 38.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.733 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 45.6 mmm-85 -138.17 142.11 40.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.434 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -151.99 146.95 25.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.785 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.444 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 21.5 p -92.81 -18.64 22.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.377 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.86 150.45 22.52 Favored Glycine 0 C--N 1.334 0.446 0 C-N-CA 120.135 -1.031 . . . . 0.0 112.998 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 685' ' ' SER . . . . . 0.427 ' O ' ' HG2' ' A' ' 688' ' ' GLN . 80.5 p -48.8 -33.48 10.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.646 0.26 . . . . 0.0 111.659 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -70.43 -35.09 73.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 110.457 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 14.6 m -64.1 -44.3 92.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.336 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 688' ' ' GLN . . . . . 0.608 ' HB3' HD11 ' B' 1108 ' ' LEU . 10.7 pt20 -61.67 -42.98 99.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.734 0.302 . . . . 0.0 110.467 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 689' ' ' HIS . . . . . 0.544 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 1.5 m-70 -70.45 -37.19 74.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.28 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.34 -52.34 65.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.329 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.7 -8.21 58.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.949 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.478 ' CD2' ' HB3' ' B' 1105 ' ' PRO . 7.4 t-105 -46.43 -42.93 15.98 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.714 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.591 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.4 OUTLIER -52.89 -47.85 67.59 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -178.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 694' ' ' LYS . . . . . 0.403 ' N ' ' CG ' ' A' ' 693' ' ' GLU . 0.0 OUTLIER -86.74 -36.43 18.64 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.613 -179.346 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.958 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 78.5 t60 -67.15 -40.04 86.64 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.047 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.591 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.5 p-80 -54.78 -29.25 53.68 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -178.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 697' ' ' HIS . . . . . 0.477 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 21.6 m80 -61.61 -32.05 72.15 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 120.411 -0.516 . . . . 0.0 109.695 178.193 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.6 mt -90.79 -55.2 6.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.8 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.0 t . . . . . 0 N--CA 1.465 0.276 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.411 -179.264 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 11.2 m-20 . . . . . 0 CA--C 1.529 0.173 0 CA-C-O 120.543 0.211 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B 1105 ' ' PRO . . . . . 0.448 ' HB3' ' CD2' ' A' ' 692' ' ' TRP . 44.0 Cg_endo -68.45 168.86 18.49 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.418 2.079 . . . . 0.0 112.41 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1106 ' ' PRO . . . . . 0.407 ' HG3' ' HA3' ' A' ' 676' ' ' GLY . 50.2 Cg_endo -69.6 171.86 13.53 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.671 2.248 . . . . 0.0 112.266 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.53 156.13 67.38 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.559 2.173 . . . . 0.0 112.476 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 16.3 mt -96.83 146.32 25.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.771 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1109 ' ' ILE . . . . . 0.582 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -114.92 122.98 70.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.866 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.47 129.65 34.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 24.6 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.978 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 662' ' ' SER . . . . . 0.448 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.783 0.325 . . . . 0.0 111.015 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.557 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 6.8 t -69.19 126.25 29.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.495 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.8 m0 -62.74 -23.47 67.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.586 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -100.15 -62.9 1.18 Allowed 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.611 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.523 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 64.2 m -54.53 -61.2 2.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.638 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.98 23.43 9.22 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.428 -0.891 . . . . 0.0 112.436 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -126.15 -63.65 1.09 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.695 0.283 . . . . 0.0 110.825 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 669' ' ' LYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -159.93 152.17 20.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.996 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.557 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.21 143.45 32.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.21 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.76 -4.86 9.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.758 -179.542 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -109.68 156.86 19.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.804 0.335 . . . . 0.0 110.488 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 673' ' ' THR . . . . . 0.582 ' HB ' HG13 ' B' 1109 ' ' ILE . 68.1 m -133.38 139.51 46.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.535 -178.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.657 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 41.0 t -68.12 106.44 2.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.261 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 20.1 p -67.4 -9.39 41.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.233 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 676' ' ' GLY . . . . . 0.407 ' HA3' ' HG3' ' B' 1106 ' ' PRO . . . -79.09 -44.45 9.8 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.455 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 18.0 p -112.79 -14.45 13.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.683 0.277 . . . . 0.0 111.107 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 60.61 23.1 12.88 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.936 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 89.3 m -121.88 -37.05 2.91 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.968 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.92 154.43 39.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.9 -179.312 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -138.3 141.57 39.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.402 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 682' ' ' TYR . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 89.9 m-85 -152.45 148.9 27.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.792 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.438 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.0 p -93.47 -18.22 22.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.524 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.09 150.89 23.01 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.115 -1.041 . . . . 0.0 113.257 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 685' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' A' ' 688' ' ' GLN . 2.3 p -51.78 -23.09 4.19 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.919 0.341 . . . . 0.0 111.919 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -80.95 -35.75 31.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.81 0.338 . . . . 0.0 110.657 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 19.1 m -63.61 -44.74 93.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.395 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 688' ' ' GLN . . . . . 0.457 ' HA ' ' CZ ' ' A' ' 682' ' ' TYR . 0.0 OUTLIER -62.0 -40.25 95.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.82 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 689' ' ' HIS . . . . . 0.445 ' CE1' ' HD2' ' B' 1105 ' ' PRO . 0.4 OUTLIER -69.63 -37.21 76.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.746 0.308 . . . . 0.0 111.205 179.644 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -52.41 65.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.015 0.436 . . . . 0.0 111.338 -179.478 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.11 -9.58 57.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.043 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.449 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 9.5 t-105 -45.42 -44.27 11.96 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.373 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.59 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.8 OUTLIER -52.95 -43.29 66.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.665 0.269 . . . . 0.0 111.467 -179.079 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -87.04 -44.67 11.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.855 0.359 . . . . 0.0 111.305 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.968 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 63.2 t60 -61.21 -40.13 92.8 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -178.542 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.59 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.4 p-80 -54.27 -29.07 45.71 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -178.579 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 697' ' ' HIS . . . . . 0.414 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 24.0 m80 -59.57 -31.33 69.34 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.497 178.513 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 698' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 695' ' ' HIS . 3.2 pt -105.41 -3.75 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -178.56 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.328 -0.365 0 CA-C-O 121.293 0.568 . . . . 0.0 110.94 -179.191 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 CA--C 1.529 0.16 0 CA-C-O 120.533 0.206 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B 1105 ' ' PRO . . . . . 0.44 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 41.0 Cg_endo -67.33 151.27 80.85 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.386 2.057 . . . . 0.0 112.352 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.82 169.92 0.33 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.571 2.181 . . . . 0.0 112.212 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.64 158.63 55.27 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.557 2.171 . . . . 0.0 112.483 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 46.5 mt -96.46 146.01 25.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1109 ' ' ILE . . . . . 0.567 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.2 pt -114.47 122.89 69.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.958 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.58 128.02 34.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.858 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 97.5 p . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 -179.953 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 662' ' ' SER . . . . . 0.471 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.936 0.398 . . . . 0.0 111.005 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.554 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 6.4 t -68.15 126.04 28.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.054 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.466 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.8 m0 -63.15 -20.83 65.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.509 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -102.03 -62.87 1.21 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.543 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.508 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 93.0 m -55.31 -60.87 2.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.596 -179.191 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 102.31 23.89 8.73 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.447 -0.882 . . . . 0.0 112.43 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.16 -63.91 1.07 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.73 0.3 . . . . 0.0 110.785 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 669' ' ' LYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -159.77 152.86 21.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.049 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.554 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.0 143.24 33.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.115 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.25 -6.18 9.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.673 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -109.65 157.9 18.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.809 0.337 . . . . 0.0 110.458 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 673' ' ' THR . . . . . 0.567 ' HB ' HG13 ' B' 1109 ' ' ILE . 60.3 m -133.9 139.51 46.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.52 -178.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.631 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 43.3 t -66.83 103.96 1.24 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.048 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 58.8 p -64.83 -10.15 26.01 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.271 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -78.42 -44.27 11.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.408 -0.901 . . . . 0.0 112.455 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 19.6 p -113.57 -13.73 12.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.598 0.237 . . . . 0.0 111.303 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.8 m120 59.66 22.87 11.63 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.745 0.307 . . . . 0.0 110.941 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 97.3 m -121.31 -37.08 2.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.812 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.936 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -75.68 154.7 36.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.594 -179.516 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -138.27 141.8 39.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.59 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 682' ' ' TYR . . . . . 0.437 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 91.8 m-85 -152.35 148.52 27.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.698 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.441 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.2 p -93.21 -18.07 22.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.477 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.85 149.93 21.92 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 120.196 -1.002 . . . . 0.0 112.901 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 1.4 p -48.88 -33.84 11.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.661 0.267 . . . . 0.0 111.596 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -70.92 -35.34 72.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.731 0.3 . . . . 0.0 110.642 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 31.0 m -63.31 -44.55 94.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.428 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 688' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -64.52 -38.06 89.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.809 -179.728 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 689' ' ' HIS . . . . . 0.47 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 0.3 OUTLIER -70.4 -37.41 74.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.876 0.369 . . . . 0.0 111.151 179.572 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -52.23 66.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.079 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.93 -10.17 57.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.042 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.443 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 8.8 t-105 -45.7 -43.53 12.82 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.583 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.6 OUTLIER -52.66 -48.0 66.77 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -178.938 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 694' ' ' LYS . . . . . 0.403 ' N ' ' CG ' ' A' ' 693' ' ' GLU . 0.0 OUTLIER -86.8 -36.22 18.67 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.617 -179.312 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.936 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 71.6 t60 -67.67 -39.22 84.52 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.583 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.6 p-80 -54.67 -28.97 51.19 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -179.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 697' ' ' HIS . . . . . 0.464 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 21.7 m80 -61.73 -31.21 71.36 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.113 178.296 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 698' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 695' ' ' HIS . 0.1 OUTLIER -103.22 -4.33 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -178.938 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 699' ' ' CYS . . . . . 0.408 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . 1.8 t . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 121.009 0.433 . . . . 0.0 111.196 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1104 ' ' ASN . . . . . 0.418 ' HA ' ' HD3' ' B' 1105 ' ' PRO . 2.8 m-20 . . . . . 0 CA--C 1.53 0.184 0 CA-C-O 120.432 0.158 . . . . 0.0 110.779 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1105 ' ' PRO . . . . . 0.45 ' HG3' ' CD2' ' A' ' 692' ' ' TRP . 6.1 Cg_exo -77.44 175.74 10.92 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.592 2.195 . . . . 0.0 112.066 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1106 ' ' PRO . . . . . 0.411 ' HG3' ' HA3' ' A' ' 676' ' ' GLY . 61.5 Cg_endo -73.43 170.58 19.58 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.483 2.122 . . . . 0.0 112.165 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.37 155.03 64.79 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.513 2.142 . . . . 0.0 112.367 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 15.6 mt -96.11 145.3 25.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1109 ' ' ILE . . . . . 0.581 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -115.35 122.83 70.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 2.6 p -86.75 131.23 34.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.907 0.384 . . . . 0.0 110.99 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 31.1 p . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -179.954 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 662' ' ' SER . . . . . 0.446 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.797 0.332 . . . . 0.0 110.988 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.528 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 6.4 t -67.56 125.88 27.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.46 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.4 m0 -62.91 -20.0 64.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.508 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -103.32 -62.67 1.26 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.558 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.528 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 65.5 m -54.9 -61.14 2.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.535 -179.208 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 100.91 23.6 9.76 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.379 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -126.1 -58.94 1.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.779 0.323 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 669' ' ' LYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.1 OUTLIER -165.98 153.13 9.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.094 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.49 ' HB2' ' CA ' ' A' ' 663' ' ' CYS . . . -143.8 144.46 31.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.185 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.6 m -120.9 -4.31 9.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.728 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.71 157.03 19.53 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.814 0.34 . . . . 0.0 110.47 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 673' ' ' THR . . . . . 0.581 ' HB ' HG13 ' B' 1109 ' ' ILE . 99.5 m -132.63 139.51 47.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.452 -178.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.671 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 44.8 t -68.74 107.51 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.286 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 54.0 p -68.29 -9.69 49.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.154 -0.475 . . . . 0.0 112.181 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 676' ' ' GLY . . . . . 0.411 ' HA3' ' HG3' ' B' 1106 ' ' PRO . . . -76.58 -49.57 7.93 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.236 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 24.2 p -109.79 -12.39 14.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.733 0.301 . . . . 0.0 111.074 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.8 m120 60.22 23.36 12.73 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.05 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 96.4 m -122.37 -36.87 2.88 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.985 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.56 154.4 39.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.74 -179.494 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -138.25 142.01 39.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.563 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 682' ' ' TYR . . . . . 0.419 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 91.8 m-85 -152.09 148.9 28.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.337 . . . . 0.0 110.734 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.443 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 21.3 p -92.83 -18.91 22.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.479 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.34 149.33 21.28 Favored Glycine 0 C--N 1.335 0.492 0 C-N-CA 120.229 -0.986 . . . . 0.0 112.826 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 99.6 p -49.45 -34.05 15.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.682 0.277 . . . . 0.0 111.383 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -70.64 -34.85 72.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.672 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 62.9 m -63.62 -41.37 98.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.464 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 688' ' ' GLN . . . . . 0.474 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -63.74 -37.62 88.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.882 -179.746 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 689' ' ' HIS . . . . . 0.474 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 0.6 OUTLIER -70.37 -37.43 74.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.82 0.343 . . . . 0.0 111.419 179.806 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -52.31 65.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.028 0.442 . . . . 0.0 111.152 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.04 -10.66 56.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.148 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.45 ' CD2' ' HG3' ' B' 1105 ' ' PRO . 9.5 t-105 -45.26 -45.4 11.94 Favored 'General case' 0 N--CA 1.461 0.101 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.455 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.521 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.0 OUTLIER -52.83 -42.69 65.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.7 0.286 . . . . 0.0 111.522 -179.157 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.01 -44.64 11.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.509 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.985 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 75.0 t60 -61.46 -41.74 97.7 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -178.611 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.521 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.4 p-80 -54.55 -29.39 50.85 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -178.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 697' ' ' HIS . . . . . 0.494 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 27.7 m80 -60.81 -30.75 70.26 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 178.262 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.6 mt -92.66 -54.11 7.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.888 -178.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.464 0.269 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -179.226 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.598 0.237 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B 1105 ' ' PRO . . . . . 0.483 ' HB3' ' CD2' ' A' ' 692' ' ' TRP . 37.1 Cg_endo -66.96 160.8 45.4 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.419 2.08 . . . . 0.0 112.548 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1106 ' ' PRO . . . . . 0.427 ' HG2' ' HA3' ' A' ' 676' ' ' GLY . 52.9 Cg_exo -54.96 163.33 4.28 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.618 2.212 . . . . 0.0 111.864 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.68 164.72 34.79 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.426 2.084 . . . . 0.0 112.543 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 12.9 mt -100.18 148.44 24.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.04 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1109 ' ' ILE . . . . . 0.564 HG13 ' HB ' ' A' ' 673' ' ' THR . 0.8 OUTLIER -116.0 123.2 71.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.75 179.697 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.43 130.6 35.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.005 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 77.9 p . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.987 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 662' ' ' SER . . . . . 0.466 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.743 0.306 . . . . 0.0 110.967 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.531 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 8.4 t -67.39 126.75 30.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.487 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.8 m0 -63.78 -20.02 65.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.669 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -102.67 -63.82 1.13 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.443 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.49 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 89.5 m -54.88 -60.52 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.585 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 100.98 23.98 9.41 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.398 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 17.6 mtp85 -125.49 -61.36 1.27 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.828 0.347 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 669' ' ' LYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -163.49 152.46 14.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.037 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.531 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.44 143.62 32.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.177 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 11.5 m -119.89 -4.94 10.12 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.651 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -109.66 157.0 19.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.788 0.328 . . . . 0.0 110.392 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 673' ' ' THR . . . . . 0.564 ' HB ' HG13 ' B' 1109 ' ' ILE . 48.7 m -132.91 139.6 47.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.493 -178.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.63 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 44.4 t -67.81 105.54 1.98 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.185 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 45.8 p -66.64 -9.46 36.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.193 -179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 676' ' ' GLY . . . . . 0.427 ' HA3' ' HG2' ' B' 1106 ' ' PRO . . . -77.39 -47.84 8.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.379 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 26.1 p -111.05 -13.04 14.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.718 0.294 . . . . 0.0 111.055 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 43.6 t30 60.19 24.42 13.76 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.116 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 63.9 m -122.8 -37.52 2.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.936 -179.173 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.904 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.66 156.06 38.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.789 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -138.23 141.84 39.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.451 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 682' ' ' TYR . . . . . 0.42 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 90.2 m-85 -152.22 146.84 25.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.637 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.447 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 19.5 p -92.35 -19.79 21.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.249 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.06 150.39 22.43 Favored Glycine 0 C--N 1.334 0.472 0 C-N-CA 120.166 -1.016 . . . . 0.0 112.894 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 685' ' ' SER . . . . . 0.43 ' O ' ' HG2' ' A' ' 688' ' ' GLN . 53.8 p -47.63 -37.59 12.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.672 0.272 . . . . 0.0 111.56 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -66.05 -35.08 79.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.805 0.336 . . . . 0.0 110.531 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 14.3 m -64.59 -45.48 86.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.234 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 688' ' ' GLN . . . . . 0.552 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 1.2 pt20 -61.88 -41.75 98.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.603 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 689' ' ' HIS . . . . . 0.552 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 18.7 m170 -70.61 -37.2 73.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.371 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -52.36 65.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.976 0.417 . . . . 0.0 111.517 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.75 -7.86 59.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.892 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.483 ' CD2' ' HB3' ' B' 1105 ' ' PRO . 6.2 t-105 -44.88 -45.01 10.05 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.505 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.541 ' HG2' ' HG2' ' A' ' 694' ' ' LYS . 0.0 OUTLIER -53.99 -38.39 65.02 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.593 0.235 . . . . 0.0 111.137 -179.561 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 694' ' ' LYS . . . . . 0.541 ' HG2' ' HG2' ' A' ' 693' ' ' GLU . 8.6 mmpt? -87.28 -49.39 7.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.971 0.415 . . . . 0.0 111.142 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.904 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 40.2 t60 -57.35 -43.74 83.74 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.388 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.476 ' HB3' ' CE3' ' A' ' 692' ' ' TRP . 2.2 p-80 -54.61 -29.02 50.67 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 697' ' ' HIS . . . . . 0.44 ' CD2' ' HA ' ' A' ' 694' ' ' LYS . 67.0 m-70 -60.18 -27.06 66.83 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.299 178.55 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 698' ' ' ILE . . . . . 0.525 HD12 ' HA ' ' A' ' 695' ' ' HIS . 0.1 OUTLIER -105.22 -49.21 9.17 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.957 -178.761 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 10.9 t . . . . . 0 N--CA 1.464 0.229 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -179.378 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 25.6 m-20 . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 120.559 0.219 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B 1105 ' ' PRO . . . . . 0.433 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 45.1 Cg_endo -68.49 157.27 62.52 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.482 2.121 . . . . 0.0 112.402 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1106 ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' 1105 ' ' PRO . 49.5 Cg_exo -55.93 172.63 0.53 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.628 2.219 . . . . 0.0 112.19 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.49 160.84 45.79 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.663 2.242 . . . . 0.0 112.541 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1108 ' ' LEU . . . . . 0.714 HD11 ' HG2' ' A' ' 688' ' ' GLN . 56.7 mt -96.98 146.66 24.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1109 ' ' ILE . . . . . 0.577 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -115.69 123.02 70.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.052 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 81.0 p -84.23 128.56 34.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.845 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 82.6 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 662' ' ' SER . . . . . 0.467 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.865 0.364 . . . . 0.0 111.053 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.577 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 5.0 t -67.21 125.77 27.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.083 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.481 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.3 m0 -62.87 -22.22 66.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.608 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 665' ' ' ASN . . . . . 0.401 ' OD1' ' HE2' ' A' ' 690' ' ' LYS . 3.3 t30 -101.8 -62.14 1.3 Allowed 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.518 -179.576 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.557 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 57.5 m -54.38 -61.45 2.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.529 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.17 24.34 8.02 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.348 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -128.56 -65.81 0.87 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.838 0.351 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 669' ' ' LYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -157.12 151.83 25.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.046 0.451 . . . . 0.0 111.22 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.577 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -141.99 143.69 33.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.019 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.59 -5.9 10.23 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -179.3 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -109.69 158.48 18.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.962 0.41 . . . . 0.0 110.513 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 673' ' ' THR . . . . . 0.577 ' HB ' HG13 ' B' 1109 ' ' ILE . 79.3 m -132.39 139.34 48.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.495 -178.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.675 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 39.0 t -67.97 106.02 2.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.208 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 59.8 p -66.57 -10.29 43.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.139 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -75.62 -49.49 9.01 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.267 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 27.8 p -111.31 -11.52 14.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.63 0.252 . . . . 0.0 111.28 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 12.2 m120 60.35 24.6 14.09 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.078 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 96.2 m -122.84 -37.35 2.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.33 -0.395 . . . . 0.0 112.04 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.9 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -74.13 154.69 39.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.789 -179.364 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -138.23 141.42 39.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.615 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 682' ' ' TYR . . . . . 0.464 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 92.9 m-85 -152.74 148.36 27.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.571 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.414 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.2 p -91.64 -18.49 23.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.289 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -152.12 152.23 23.98 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.934 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 685' ' ' SER . . . . . 0.442 ' O ' ' HG3' ' A' ' 688' ' ' GLN . 4.5 t -52.3 -22.84 4.9 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.641 0.258 . . . . 0.0 111.608 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -75.29 -41.15 57.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.045 0.45 . . . . 0.0 110.205 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 687' ' ' CYS . . . . . 0.4 ' HA ' ' ND2' ' A' ' 665' ' ' ASN . 18.3 m -63.56 -45.34 90.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.618 -179.397 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 688' ' ' GLN . . . . . 0.714 ' HG2' HD11 ' B' 1108 ' ' LEU . 1.2 pp0? -61.7 -43.69 98.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.716 0.293 . . . . 0.0 110.544 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 689' ' ' HIS . . . . . 0.417 ' HA ' ' HB2' ' A' ' 692' ' ' TRP . 0.2 OUTLIER -68.57 -37.02 79.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.137 179.449 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 690' ' ' LYS . . . . . 0.405 ' HB3' ' HE2' ' A' ' 690' ' ' LYS . 0.0 OUTLIER -57.47 -52.34 65.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.239 -179.77 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.88 -9.7 57.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.02 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.446 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 11.8 t-105 -45.45 -43.97 11.86 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.532 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.522 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.0 OUTLIER -52.91 -41.45 64.43 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.703 0.287 . . . . 0.0 111.313 -179.318 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 694' ' ' LYS . . . . . 0.46 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 36.6 mtmt -86.97 -47.79 8.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 0.0 111.229 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.9 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 49.8 t60 -57.46 -43.75 84.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.327 -178.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.522 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.3 p-80 -54.52 -29.14 49.73 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.033 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 697' ' ' HIS . . . . . 0.46 ' CD2' ' HA ' ' A' ' 694' ' ' LYS . 58.6 m-70 -60.32 -27.57 67.43 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.092 178.423 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 698' ' ' ILE . . . . . 0.567 HD12 ' HA ' ' A' ' 695' ' ' HIS . 0.1 OUTLIER -101.1 -51.17 9.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.773 -178.833 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 8.4 t . . . . . 0 N--CA 1.464 0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.246 -179.282 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B 1104 ' ' ASN . . . . . 0.68 ' N ' HD21 ' B' 1104 ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.518 0.199 . . . . 0.0 110.912 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1105 ' ' PRO . . . . . 0.428 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 53.7 Cg_endo -69.29 171.07 14.59 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.421 2.081 . . . . 0.0 112.388 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.16 171.14 15.46 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.618 2.212 . . . . 0.0 112.328 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.42 156.87 60.7 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.598 2.199 . . . . 0.0 112.459 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 15.8 mt -95.78 145.46 25.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1109 ' ' ILE . . . . . 0.587 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -114.87 122.93 69.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.949 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.71 129.75 35.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 87.3 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.949 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 662' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 2.2 t . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.942 0.401 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.598 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 7.1 t -70.34 126.49 29.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.095 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.478 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.1 m0 -63.52 -24.6 67.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.538 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -97.27 -62.58 1.23 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.376 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.53 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 99.4 m -56.17 -59.73 4.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.538 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.84 30.03 5.95 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.409 -0.901 . . . . 0.0 112.386 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -135.47 -71.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.776 0.322 . . . . 0.0 111.127 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 669' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 1.6 mmtp -148.34 146.6 28.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.009 0.433 . . . . 0.0 111.461 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.598 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -139.6 142.45 37.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.944 179.538 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.25 -5.31 9.93 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.861 -179.426 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -109.69 156.93 19.63 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.815 0.34 . . . . 0.0 110.42 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 673' ' ' THR . . . . . 0.587 ' HB ' HG13 ' B' 1109 ' ' ILE . 66.9 m -132.55 139.48 47.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.562 -178.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.648 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 44.1 t -68.13 107.16 2.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.323 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 33.5 p -67.31 -9.31 39.72 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.134 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -77.79 -46.36 9.69 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.36 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 20.0 p -112.39 -13.41 13.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.59 0.233 . . . . 0.0 111.178 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 61.9 t30 60.08 24.15 13.38 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.794 0.33 . . . . 0.0 110.822 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 75.6 m -122.5 -37.4 2.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.969 -179.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.949 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.41 155.43 39.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.796 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -138.28 141.84 39.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.466 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 682' ' ' TYR . . . . . 0.434 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 90.0 m-85 -152.28 147.48 26.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.695 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.449 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 19.6 p -92.73 -18.75 22.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.432 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.67 149.48 21.42 Favored Glycine 0 C--N 1.335 0.48 0 C-N-CA 120.201 -1.0 . . . . 0.0 112.867 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 2.3 p -48.67 -35.43 13.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.69 0.281 . . . . 0.0 111.413 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -69.68 -34.47 73.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.73 0.3 . . . . 0.0 110.606 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 59.2 m -63.96 -42.24 97.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.451 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 688' ' ' GLN . . . . . 0.477 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -65.35 -37.81 88.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.957 -179.796 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 689' ' ' HIS . . . . . 0.477 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 0.4 OUTLIER -70.42 -37.29 74.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.747 0.308 . . . . 0.0 111.427 179.836 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -52.57 64.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.17 0.51 . . . . 0.0 111.217 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.05 -9.87 57.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.054 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.445 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 10.2 t-105 -44.99 -44.74 10.13 Favored 'General case' 0 N--CA 1.461 0.095 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.53 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.3 OUTLIER -52.76 -41.52 64.14 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.728 0.299 . . . . 0.0 111.313 -179.363 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 694' ' ' LYS . . . . . 0.474 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 9.1 mtmt -87.18 -47.74 8.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.298 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.949 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 63.2 t60 -57.41 -43.72 83.99 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -178.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.53 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.2 p-80 -54.59 -28.98 50.06 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.033 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 697' ' ' HIS . . . . . 0.474 ' CD2' ' HA ' ' A' ' 694' ' ' LYS . 56.4 m-70 -59.45 -27.0 65.69 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.082 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 698' ' ' ILE . . . . . 0.517 HD12 ' HA ' ' A' ' 695' ' ' HIS . 0.1 OUTLIER -103.28 -48.54 10.48 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.669 -179.122 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.7 t . . . . . 0 N--CA 1.464 0.252 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -179.614 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B 1104 ' ' ASN . . . . . 0.402 ' HA ' ' HD2' ' B' 1105 ' ' PRO . 3.4 m-20 . . . . . 0 CA--C 1.529 0.173 0 CA-C-O 120.515 0.198 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1105 ' ' PRO . . . . . 0.524 ' HB3' ' CD2' ' A' ' 692' ' ' TRP . 31.6 Cg_endo -65.85 166.7 19.6 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.383 2.055 . . . . 0.0 112.672 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1106 ' ' PRO . . . . . 0.435 ' HG2' ' HA3' ' A' ' 676' ' ' GLY . 16.4 Cg_exo -67.41 159.22 53.39 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.843 2.362 . . . . 0.0 111.773 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.85 163.09 39.62 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.373 2.048 . . . . 0.0 112.262 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 13.1 mt -99.33 147.13 25.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1109 ' ' ILE . . . . . 0.567 HG13 ' HB ' ' A' ' 673' ' ' THR . 0.7 OUTLIER -116.52 123.24 71.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.815 179.72 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 1.1 p -84.04 127.77 34.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.928 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 43.8 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 179.967 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 662' ' ' SER . . . . . 0.489 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 1.2 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.819 0.343 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.538 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 6.0 t -68.55 126.34 29.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.068 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.462 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.8 m0 -63.93 -22.15 66.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.56 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 665' ' ' ASN . . . . . 0.402 ' OD1' ' HE2' ' A' ' 690' ' ' LYS . 1.9 t30 -100.32 -63.49 1.13 Allowed 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.342 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.516 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 65.8 m -54.72 -61.27 2.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.59 -179.314 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 102.47 23.9 8.63 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.371 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 -126.69 -63.13 1.09 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.72 0.295 . . . . 0.0 110.842 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 669' ' ' LYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -161.02 152.47 19.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.062 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.538 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.23 144.14 33.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.193 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -119.49 -5.71 10.29 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.818 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -109.68 158.58 17.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.851 0.357 . . . . 0.0 110.452 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 673' ' ' THR . . . . . 0.567 ' HB ' HG13 ' B' 1109 ' ' ILE . 50.4 m -133.52 139.63 46.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.627 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.627 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 41.1 t -67.43 105.46 1.81 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.139 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 90.8 p -67.24 -9.61 42.31 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -179.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 676' ' ' GLY . . . . . 0.435 ' HA3' ' HG2' ' B' 1106 ' ' PRO . . . -78.78 -46.11 8.8 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.383 -0.913 . . . . 0.0 112.374 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 21.2 p -110.83 -14.22 14.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.743 0.306 . . . . 0.0 111.005 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.8 m120 60.65 23.16 12.98 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.154 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 95.9 m -122.46 -37.01 2.84 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.963 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -74.51 155.35 38.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.837 -179.472 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -138.31 141.75 39.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.528 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 682' ' ' TYR . . . . . 0.41 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 94.4 m-85 -152.37 147.8 26.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.668 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.441 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.6 p -91.88 -19.29 22.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.184 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -151.29 151.23 23.23 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.413 -0.899 . . . . 0.0 112.752 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 685' ' ' SER . . . . . 0.416 ' O ' ' HG2' ' A' ' 688' ' ' GLN . 0.3 OUTLIER -49.41 -33.67 14.47 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.817 0.341 . . . . 0.0 111.23 -179.85 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -65.26 -40.79 94.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.934 0.397 . . . . 0.0 110.314 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 19.3 m -63.22 -44.52 95.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.508 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 688' ' ' GLN . . . . . 0.556 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 1.1 pt20 -61.79 -42.04 98.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.756 0.312 . . . . 0.0 110.534 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 689' ' ' HIS . . . . . 0.556 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 1.2 m-70 -70.51 -37.3 74.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.374 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 690' ' ' LYS . . . . . 0.402 ' HE2' ' OD1' ' A' ' 665' ' ' ASN . 0.0 OUTLIER -57.29 -52.29 65.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.384 -179.499 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.7 -8.27 58.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.957 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.524 ' CD2' ' HB3' ' B' 1105 ' ' PRO . 6.7 t-105 -45.87 -44.95 14.82 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.765 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.561 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.5 OUTLIER -52.96 -41.33 64.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.761 0.315 . . . . 0.0 111.258 -179.448 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -87.21 -47.75 8.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.265 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.963 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 74.7 t60 -59.08 -40.93 86.77 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -178.533 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.561 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.4 p-80 -54.71 -29.36 53.01 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -178.634 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 697' ' ' HIS . . . . . 0.531 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 24.2 m80 -61.42 -32.27 72.22 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 120.452 -0.499 . . . . 0.0 109.77 178.293 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.6 mt -91.67 -54.78 6.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.001 -178.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.9 t . . . . . 0 N--CA 1.465 0.314 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -179.301 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 3.3 m-80 . . . . . 0 CA--C 1.529 0.165 0 CA-C-O 120.576 0.227 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B 1105 ' ' PRO . . . . . 0.425 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 40.6 Cg_endo -67.21 152.07 80.14 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.304 2.003 . . . . 0.0 112.226 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.95 171.0 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.527 2.151 . . . . 0.0 112.282 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.48 159.68 50.69 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.587 2.192 . . . . 0.0 112.533 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 88.4 mt -96.4 146.13 25.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1109 ' ' ILE . . . . . 0.576 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -115.71 122.9 70.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.999 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.82 130.45 34.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.95 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 84.6 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.93 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 662' ' ' SER . . . . . 0.459 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.855 0.36 . . . . 0.0 111.002 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.553 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 5.4 t -69.31 125.91 28.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.446 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.9 m0 -63.74 -20.92 66.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.49 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -102.17 -62.95 1.2 Allowed 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.44 -179.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.533 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 59.4 m -54.23 -61.88 2.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.527 -179.343 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.34 22.29 9.26 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.374 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -125.55 -64.93 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.748 0.309 . . . . 0.0 110.769 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 669' ' ' LYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -158.65 152.65 23.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.077 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.553 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -141.48 143.09 33.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.103 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.02 -6.11 10.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.782 -179.464 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -109.69 157.09 19.45 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.868 0.366 . . . . 0.0 110.378 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 673' ' ' THR . . . . . 0.576 ' HB ' HG13 ' B' 1109 ' ' ILE . 78.4 m -131.51 139.39 49.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.574 -178.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.619 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 38.7 t -68.43 106.65 2.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.234 179.564 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 24.9 p -67.05 -9.96 44.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.112 -179.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -76.45 -48.95 8.6 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.27 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 21.5 p -110.68 -12.34 14.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.588 0.233 . . . . 0.0 111.15 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.6 m120 59.84 23.32 12.3 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.014 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 97.2 m -122.35 -37.08 2.85 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.977 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.96 155.02 39.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.641 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -138.28 141.79 39.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.694 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 682' ' ' TYR . . . . . 0.447 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 91.7 m-85 -152.51 148.53 27.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.749 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.426 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 22.4 p -92.79 -18.22 23.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.312 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -151.54 150.87 22.86 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.396 -0.906 . . . . 0.0 112.75 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 685' ' ' SER . . . . . 0.404 ' O ' ' HG3' ' A' ' 688' ' ' GLN . 2.5 p -49.03 -33.82 12.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.84 0.352 . . . . 0.0 111.379 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -66.42 -40.42 89.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.921 0.391 . . . . 0.0 110.522 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 19.8 m -62.86 -45.66 91.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.767 -179.205 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 688' ' ' GLN . . . . . 0.5 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -62.78 -39.28 93.73 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.726 -179.815 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 689' ' ' HIS . . . . . 0.5 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 0.4 OUTLIER -70.44 -37.52 74.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.874 0.369 . . . . 0.0 111.068 179.502 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -52.15 66.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.132 0.491 . . . . 0.0 111.03 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 691' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 694' ' ' LYS . 0.7 OUTLIER -84.82 -10.35 57.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.983 179.713 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.442 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 8.8 t-105 -45.86 -43.55 13.66 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.649 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.579 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.4 OUTLIER -52.78 -47.97 67.15 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -178.91 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 694' ' ' LYS . . . . . 0.407 ' HD3' ' HA ' ' A' ' 691' ' ' ASP . 0.0 OUTLIER -86.74 -35.95 18.92 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.669 -179.319 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.977 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 78.6 t60 -67.44 -40.39 85.45 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -179.049 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.579 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.5 p-80 -54.72 -29.28 53.0 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -178.76 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 697' ' ' HIS . . . . . 0.485 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 21.5 m80 -61.23 -32.14 71.93 Favored 'General case' 0 C--O 1.231 0.121 0 C-N-CA 120.367 -0.533 . . . . 0.0 109.613 178.142 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.9 mt -88.93 -55.83 5.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.633 -179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 N--CA 1.464 0.246 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.476 -179.246 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 8.9 p30 . . . . . 0 CA--C 1.528 0.134 0 CA-C-O 120.413 0.149 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B 1105 ' ' PRO . . . . . 0.441 ' HG3' ' CE2' ' A' ' 692' ' ' TRP . 5.6 Cg_exo -75.95 173.68 14.09 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.494 2.129 . . . . 0.0 112.115 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -73.6 170.71 19.33 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.548 2.166 . . . . 0.0 112.224 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.32 154.98 65.06 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.544 2.163 . . . . 0.0 112.307 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 12.2 mt -96.22 145.57 25.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1109 ' ' ILE . . . . . 0.577 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -115.53 122.93 70.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.802 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.16 131.19 35.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.842 0.353 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 13.4 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.959 179.962 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 662' ' ' SER . . . . . 0.444 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.841 0.353 . . . . 0.0 110.999 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.545 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 6.9 t -67.22 126.3 28.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.968 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.474 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.7 m0 -63.41 -21.36 66.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.577 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -101.62 -62.8 1.21 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.418 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.53 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 65.0 m -55.1 -60.99 2.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.592 -179.315 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.82 23.57 9.22 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.446 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -126.28 -64.07 1.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.82 0.343 . . . . 0.0 110.773 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 669' ' ' LYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -159.76 152.25 21.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.116 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.545 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.5 143.46 32.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.176 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 30.8 m -120.49 -4.82 9.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.672 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -109.66 155.99 20.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.879 0.371 . . . . 0.0 110.417 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 673' ' ' THR . . . . . 0.577 ' HB ' HG13 ' B' 1109 ' ' ILE . 56.3 m -131.44 139.36 49.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.478 -178.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.642 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 39.6 t -68.93 107.02 2.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.322 179.462 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 54.7 p -67.38 -9.61 43.13 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.123 -0.49 . . . . 0.0 112.139 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -76.37 -49.25 8.42 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.437 -0.887 . . . . 0.0 112.361 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 26.3 p -110.44 -12.22 14.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.665 0.269 . . . . 0.0 111.127 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 4.2 m120 60.16 23.94 13.26 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 120.781 0.324 . . . . 0.0 111.133 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 98.6 m -122.59 -37.11 2.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.93 0.395 . . . . 0.0 112.022 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.964 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.47 155.33 39.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.885 -179.256 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 41.5 mmm-85 -138.31 141.81 39.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.508 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 682' ' ' TYR . . . . . 0.418 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 91.2 m-85 -152.08 148.16 27.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.608 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.443 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.8 p -92.97 -19.14 21.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.409 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.13 149.12 21.06 Favored Glycine 0 C--N 1.333 0.39 0 C-N-CA 120.139 -1.029 . . . . 0.0 112.813 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 20.0 p -49.07 -34.22 13.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.662 0.267 . . . . 0.0 111.362 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -70.23 -35.48 73.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.54 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 58.7 m -62.88 -42.17 99.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.44 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 688' ' ' GLN . . . . . 0.481 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -63.37 -37.63 88.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.931 -179.746 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 689' ' ' HIS . . . . . 0.481 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 0.6 OUTLIER -70.46 -37.54 74.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.866 0.365 . . . . 0.0 111.561 179.737 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -52.26 66.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.061 0.458 . . . . 0.0 111.295 -179.427 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.09 -10.67 56.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.083 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.441 ' CE2' ' HG3' ' B' 1105 ' ' PRO . 8.5 t-105 -44.2 -46.46 8.92 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.632 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.521 ' HG2' ' HG2' ' A' ' 694' ' ' LYS . 0.1 OUTLIER -53.94 -37.82 64.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.643 0.259 . . . . 0.0 110.984 -179.696 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 694' ' ' LYS . . . . . 0.521 ' HG2' ' HG2' ' A' ' 693' ' ' GLU . 0.2 OUTLIER -87.25 -50.6 6.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.016 0.436 . . . . 0.0 111.163 179.551 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.964 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 65.0 t60 -57.59 -43.14 84.41 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -178.343 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.45 ' C ' ' CD2' ' A' ' 696' ' ' HIS . 2.2 p-80 -54.38 -29.23 47.91 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.689 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 697' ' ' HIS . . . . . 0.425 ' CD2' ' HA ' ' A' ' 694' ' ' LYS . 72.9 m-70 -60.99 -30.41 70.26 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 178.222 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.5 mt -94.79 -53.93 7.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.906 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.463 0.217 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -179.289 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 13.0 m120 . . . . . 0 CA--C 1.528 0.134 0 CA-C-O 120.526 0.203 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B 1105 ' ' PRO . . . . . 0.447 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 39.3 Cg_endo -67.14 148.35 80.79 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.401 2.067 . . . . 0.0 112.372 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1106 ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' 1105 ' ' PRO . 51.1 Cg_exo -54.15 170.69 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.569 2.179 . . . . 0.0 112.159 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.54 160.35 49.78 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.553 2.169 . . . . 0.0 112.471 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1108 ' ' LEU . . . . . 0.489 HD11 ' HG2' ' A' ' 688' ' ' GLN . 17.6 mt -97.15 146.43 25.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1109 ' ' ILE . . . . . 0.575 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.2 pt -114.46 122.91 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.833 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.15 127.62 34.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.932 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 75.4 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.913 179.912 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 662' ' ' SER . . . . . 0.449 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.908 0.385 . . . . 0.0 110.968 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.566 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 7.8 t -69.74 126.48 29.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.111 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.486 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.3 m0 -63.03 -23.5 67.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.62 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 665' ' ' ASN . . . . . 0.403 ' OD1' ' HE2' ' A' ' 690' ' ' LYS . 4.1 t30 -99.78 -62.87 1.18 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.537 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.518 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.5 m -54.91 -60.48 3.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.545 -179.217 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.54 23.87 9.18 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.459 -0.877 . . . . 0.0 112.446 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.8 -65.14 0.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.807 0.336 . . . . 0.0 110.824 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 669' ' ' LYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -158.04 151.51 23.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.566 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.01 143.36 33.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.236 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.4 p -120.62 -5.39 9.74 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.733 -179.508 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -109.67 157.35 19.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.909 0.385 . . . . 0.0 110.344 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 673' ' ' THR . . . . . 0.575 ' HB ' HG13 ' B' 1109 ' ' ILE . 71.1 m -134.37 139.55 45.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.583 -178.745 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.604 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 44.1 t -66.41 103.79 1.1 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.113 179.393 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 82.9 p -65.04 -10.1 27.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.154 -0.475 . . . . 0.0 112.156 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -78.49 -43.6 12.21 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.437 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 23.2 p -114.12 -14.07 12.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.701 0.286 . . . . 0.0 111.372 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.7 m120 60.14 23.69 12.99 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.091 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 78.6 m -121.96 -37.64 2.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.911 0.386 . . . . 0.0 111.984 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.92 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -75.04 155.11 37.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.74 -179.448 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -138.15 141.75 40.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.537 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 682' ' ' TYR . . . . . 0.46 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 89.6 m-85 -152.49 148.65 27.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.659 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.444 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.0 p -93.51 -18.94 21.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.392 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.57 150.38 22.46 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.164 -1.017 . . . . 0.0 113.144 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 685' ' ' SER . . . . . 0.411 ' O ' ' HG3' ' A' ' 688' ' ' GLN . 4.6 p -51.12 -23.84 3.54 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -179.577 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -79.52 -35.66 39.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.358 . . . . 0.0 110.54 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 16.6 m -64.19 -45.58 87.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.228 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 688' ' ' GLN . . . . . 0.489 ' HG2' HD11 ' B' 1108 ' ' LEU . 1.4 pp0? -61.71 -42.49 99.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.767 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 689' ' ' HIS . . . . . 0.421 ' HA ' ' HB2' ' A' ' 692' ' ' TRP . 0.1 OUTLIER -68.84 -36.94 78.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.288 179.69 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 690' ' ' LYS . . . . . 0.403 ' HE2' ' OD1' ' A' ' 665' ' ' ASN . 0.0 OUTLIER -57.29 -52.37 65.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.012 0.434 . . . . 0.0 111.252 -179.625 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.98 -9.83 57.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.112 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.447 ' CE2' ' HB3' ' B' 1105 ' ' PRO . 10.5 t-105 -45.59 -44.19 12.77 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.385 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.551 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.7 OUTLIER -52.9 -41.67 64.6 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.733 0.301 . . . . 0.0 111.343 -179.342 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -87.13 -47.68 8.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.932 0.396 . . . . 0.0 111.283 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.92 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 55.2 t60 -57.4 -42.84 83.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.392 -178.758 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.551 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.3 p-80 -54.71 -28.83 50.77 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -178.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 697' ' ' HIS . . . . . 0.401 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 31.4 m170 -61.29 -24.87 66.72 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.46 178.378 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 698' ' ' ILE . . . . . 0.4 ' CD1' ' HA ' ' A' ' 695' ' ' HIS . 0.1 OUTLIER -113.32 -6.02 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -178.577 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 699' ' ' CYS . . . . . 0.413 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . 2.5 t . . . . . 0 C--N 1.326 -0.433 0 CA-C-O 120.84 0.352 . . . . 0.0 111.057 -179.667 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 28.4 m-80 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.515 0.197 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B 1105 ' ' PRO . . . . . 0.434 ' HB3' ' CD2' ' A' ' 692' ' ' TRP . 49.5 Cg_endo -69.04 152.64 73.03 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.438 2.092 . . . . 0.0 112.348 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.16 168.86 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.525 2.15 . . . . 0.0 112.205 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.78 159.37 53.64 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.577 2.185 . . . . 0.0 112.418 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 7.1 mp -96.23 145.88 25.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.751 179.907 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B 1109 ' ' ILE . . . . . 0.589 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -115.98 123.01 70.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.02 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.95 128.11 34.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 81.8 p . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.984 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 662' ' ' SER . . . . . 0.475 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 1.4 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.779 0.323 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.519 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 5.8 t -66.82 125.89 27.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -179.749 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.466 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.6 m0 -63.69 -20.09 65.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.381 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -102.05 -63.01 1.19 Allowed 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.487 -179.533 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.519 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 81.9 m -55.66 -60.8 2.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.642 -179.36 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.22 25.03 8.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.442 -0.885 . . . . 0.0 112.362 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -127.55 -60.06 1.19 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.895 0.378 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 669' ' ' LYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.5 OUTLIER -164.49 152.99 12.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.489 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -143.4 144.28 31.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.131 179.865 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.15 -4.32 10.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.721 -179.722 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -109.62 158.07 18.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.898 0.38 . . . . 0.0 110.429 179.723 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 673' ' ' THR . . . . . 0.589 ' HB ' HG13 ' B' 1109 ' ' ILE . 79.4 m -133.01 139.28 47.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.436 -178.962 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.714 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 44.6 t -68.84 107.33 3.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.319 179.62 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 24.8 p -67.81 -9.92 48.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.152 -179.528 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -75.49 -50.72 7.91 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.197 179.894 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 26.7 p -109.92 -11.41 14.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.655 0.264 . . . . 0.0 111.127 179.543 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 7.1 m120 60.31 24.09 13.55 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.081 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 91.7 m -122.53 -37.12 2.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.033 -179.169 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.97 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -72.56 155.53 39.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.879 -179.367 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -138.4 142.0 39.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.493 179.503 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 682' ' ' TYR . . . . . 0.443 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 89.2 m-85 -152.06 147.59 26.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 110.815 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.446 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 19.8 p -92.3 -19.31 22.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.065 179.839 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.25 149.49 21.38 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 120.415 -0.897 . . . . 0.0 112.58 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 84.8 p -47.58 -39.0 15.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.743 0.306 . . . . 0.0 111.345 -179.799 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -64.14 -35.98 82.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.756 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 17.2 m -64.01 -42.66 97.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.877 0.37 . . . . 0.0 110.883 -179.715 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 688' ' ' GLN . . . . . 0.443 ' HA ' ' CZ ' ' A' ' 682' ' ' TYR . 0.0 OUTLIER -61.69 -44.8 96.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.174 -179.951 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 689' ' ' HIS . . . . . 0.429 ' HA ' ' HB2' ' A' ' 692' ' ' TRP . 12.9 m170 -68.56 -37.16 79.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.46 -179.86 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -52.44 65.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.051 0.453 . . . . 0.0 111.281 -179.547 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.08 -9.44 57.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.013 179.644 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.448 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 11.4 t-105 -45.75 -44.37 13.76 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.435 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.532 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.0 OUTLIER -52.83 -41.71 64.46 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.723 0.297 . . . . 0.0 111.345 -179.322 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 694' ' ' LYS . . . . . 0.478 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 22.2 mtmt -87.08 -47.45 8.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.365 . . . . 0.0 111.357 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.97 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 71.7 t60 -58.58 -42.3 87.73 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.459 0.541 . . . . 0.0 112.459 -178.711 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.532 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.3 p-80 -54.62 -29.12 51.16 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.907 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 697' ' ' HIS . . . . . 0.478 ' CD2' ' HA ' ' A' ' 694' ' ' LYS . 66.8 m-70 -60.78 -30.42 70.03 Favored 'General case' 0 C--O 1.231 0.13 0 C-N-CA 120.516 -0.473 . . . . 0.0 109.759 178.125 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.2 mt -94.0 -54.0 7.74 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.798 -178.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.9 t . . . . . 0 N--CA 1.463 0.224 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.248 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 21.4 m-80 . . . . . 0 CA--C 1.529 0.161 0 CA-C-O 120.515 0.198 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B 1105 ' ' PRO . . . . . 0.491 ' HB3' ' CD2' ' A' ' 692' ' ' TRP . 30.9 Cg_endo -65.56 172.33 8.14 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.402 2.068 . . . . 0.0 112.498 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B 1106 ' ' PRO . . . . . 0.426 ' HG3' ' HA3' ' A' ' 676' ' ' GLY . 60.0 Cg_endo -71.99 162.87 40.55 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.547 2.165 . . . . 0.0 111.889 179.463 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.67 163.64 38.27 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.353 2.036 . . . . 0.0 112.488 -179.84 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 18.5 mt -99.85 148.18 24.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.026 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B 1109 ' ' ILE . . . . . 0.579 HG13 ' HB ' ' A' ' 673' ' ' THR . 0.8 OUTLIER -115.89 123.13 70.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.797 179.757 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 1.5 p -80.71 128.77 34.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 57.0 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.947 179.972 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 662' ' ' SER . . . . . 0.473 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.832 0.349 . . . . 0.0 110.988 . . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.528 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 8.7 t -67.58 127.12 31.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.974 -179.872 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.48 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.2 m0 -63.4 -23.31 67.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.521 -179.785 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -99.47 -63.0 1.16 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.481 -179.469 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.528 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 90.2 m -54.92 -61.06 2.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.479 -179.414 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.55 24.83 8.5 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.357 -0.925 . . . . 0.0 112.523 -179.9 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 1.1 mmt-85 -127.58 -62.33 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.747 0.308 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 669' ' ' LYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -161.35 152.5 18.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.925 0.393 . . . . 0.0 111.103 179.954 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.517 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -143.32 144.18 31.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.111 179.807 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.74 -5.28 10.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.674 -179.592 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -109.71 158.53 18.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.836 0.35 . . . . 0.0 110.403 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 673' ' ' THR . . . . . 0.579 ' HB ' HG13 ' B' 1109 ' ' ILE . 78.5 m -135.45 139.55 44.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.546 -178.894 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.639 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 45.4 t -65.95 102.63 0.81 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.172 179.536 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 84.3 p -64.74 -10.17 25.59 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.208 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 676' ' ' GLY . . . . . 0.426 ' HA3' ' HG3' ' B' 1106 ' ' PRO . . . -78.94 -44.0 10.49 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.459 -0.877 . . . . 0.0 112.45 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 22.2 p -112.61 -14.22 13.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.717 0.294 . . . . 0.0 111.166 179.781 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 60.55 23.43 13.13 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.09 -179.828 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 68.0 m -121.86 -37.75 2.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.93 0.395 . . . . 0.0 112.01 -179.168 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.919 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -74.97 156.03 36.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.861 -179.321 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 30.0 mmm-85 -138.24 141.87 39.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.333 179.477 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 682' ' ' TYR . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 88.5 m-85 -152.21 147.22 26.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.66 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.449 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 19.2 p -92.49 -19.9 21.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.242 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.82 150.24 22.28 Favored Glycine 0 C--N 1.333 0.411 0 C-N-CA 120.275 -0.964 . . . . 0.0 112.836 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 685' ' ' SER . . . . . 0.434 ' O ' ' HG2' ' A' ' 688' ' ' GLN . 93.1 p -46.85 -40.13 13.32 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.741 0.305 . . . . 0.0 111.515 -179.73 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -63.87 -34.56 78.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.749 0.309 . . . . 0.0 110.518 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 14.2 m -64.99 -46.31 81.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.116 -179.82 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 688' ' ' GLN . . . . . 0.548 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 1.2 pt20 -61.93 -41.43 97.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.593 -179.845 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 689' ' ' HIS . . . . . 0.548 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 1.5 m-70 -70.63 -37.07 73.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.467 179.706 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -52.47 65.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.018 0.437 . . . . 0.0 111.507 -179.368 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -84.85 -8.43 58.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.029 179.835 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.491 ' CD2' ' HB3' ' B' 1105 ' ' PRO . 7.2 t-105 -45.41 -44.71 12.28 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -179.456 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.579 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.1 OUTLIER -53.02 -41.41 64.67 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.754 0.311 . . . . 0.0 111.337 -179.418 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -87.16 -47.75 8.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.211 -179.899 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.919 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 53.0 t60 -57.47 -42.04 81.82 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -178.559 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.579 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.5 p-80 -54.66 -28.85 50.25 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.927 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 697' ' ' HIS . . . . . 0.428 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 30.0 m80 -61.67 -24.98 67.11 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.574 178.527 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.72 -6.33 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -178.366 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.325 -0.458 0 CA-C-O 120.858 0.361 . . . . 0.0 111.058 -179.653 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B 1104 ' ' ASN . . . . . 0.448 ' HA ' ' HD3' ' B' 1105 ' ' PRO . 79.2 m-20 . . . . . 0 CA--C 1.528 0.126 0 CA-C-O 120.42 0.152 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B 1105 ' ' PRO . . . . . 0.489 ' HG2' ' NE2' ' A' ' 688' ' ' GLN . 6.2 Cg_exo -76.64 171.03 18.76 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.519 2.146 . . . . 0.0 112.273 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B 1106 ' ' PRO . . . . . 0.411 ' HG3' ' HA3' ' A' ' 676' ' ' GLY . 73.3 Cg_endo -76.02 170.32 20.32 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.603 2.202 . . . . 0.0 112.144 179.83 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.83 155.67 61.96 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.483 2.122 . . . . 0.0 112.433 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B 1108 ' ' LEU . . . . . 0.406 HD23 ' HA ' ' B' 1108 ' ' LEU . 31.6 mt -95.62 145.41 25.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.787 179.897 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B 1109 ' ' ILE . . . . . 0.582 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -114.74 122.89 69.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.925 179.756 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 39.0 p -87.44 128.88 35.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 51.4 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.979 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 662' ' ' SER . . . . . 0.433 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.791 0.329 . . . . 0.0 110.931 . . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.586 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 7.7 t -68.23 126.86 30.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 -179.8 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.498 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.0 m0 -62.56 -26.66 68.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.495 -179.894 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -96.53 -62.77 1.22 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.517 -179.374 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.564 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 63.8 m -54.68 -61.0 2.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.508 -179.344 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.19 24.77 7.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.373 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.76 -70.23 0.65 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.797 0.332 . . . . 0.0 110.935 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 669' ' ' LYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 11.6 mmtp -150.75 149.75 30.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.07 0.462 . . . . 0.0 111.357 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.586 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -141.67 143.41 33.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.89 179.615 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.77 -4.32 9.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.768 -179.497 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.73 157.26 19.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.906 0.384 . . . . 0.0 110.421 179.849 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 673' ' ' THR . . . . . 0.582 ' HB ' HG13 ' B' 1109 ' ' ILE . 58.4 m -133.52 139.49 46.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.484 -178.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.67 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 40.7 t -68.36 107.21 2.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.271 179.482 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 83.8 p -68.16 -9.42 46.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 112.219 -179.273 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 676' ' ' GLY . . . . . 0.411 ' HA3' ' HG3' ' B' 1106 ' ' PRO . . . -79.05 -45.03 9.27 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.452 -0.88 . . . . 0.0 112.412 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 17.4 p -111.95 -14.3 13.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.712 0.292 . . . . 0.0 111.053 179.755 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 3.1 m120 60.82 22.65 12.68 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.973 -179.809 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 100.0 m -122.04 -36.74 2.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.918 0.39 . . . . 0.0 111.991 -179.121 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.963 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -74.18 154.0 39.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.057 -179.266 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -138.31 141.78 39.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.396 179.457 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 682' ' ' TYR . . . . . 0.421 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 91.0 m-85 -152.32 148.99 28.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.779 0.323 . . . . 0.0 110.721 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.433 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.7 p -92.64 -18.58 22.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.33 -179.86 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.55 149.93 21.86 Favored Glycine 0 C--N 1.334 0.433 0 C-N-CA 120.25 -0.976 . . . . 0.0 112.734 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 8.9 p -48.0 -39.27 19.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.742 0.306 . . . . 0.0 111.44 -179.778 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -66.21 -34.36 77.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.768 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 67.0 m -63.76 -41.9 97.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.685 0.279 . . . . 0.0 111.395 -179.372 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 688' ' ' GLN . . . . . 0.489 ' NE2' ' HG2' ' B' 1105 ' ' PRO . 0.9 OUTLIER -65.29 -36.91 85.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.959 -179.691 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 689' ' ' HIS . . . . . 0.489 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 0.4 OUTLIER -70.59 -37.36 73.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.621 -179.929 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -52.38 65.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.041 0.448 . . . . 0.0 111.394 -179.432 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.14 -10.33 56.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.182 179.808 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.457 ' CD1' ' HG3' ' B' 1105 ' ' PRO . 9.7 t-105 -44.68 -45.16 9.58 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.361 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.565 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.3 OUTLIER -53.0 -41.2 64.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.708 0.289 . . . . 0.0 111.3 -179.284 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -87.3 -47.84 8.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.975 0.416 . . . . 0.0 111.318 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.963 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 60.6 t60 -59.23 -40.7 86.71 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -178.452 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.565 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.4 p-80 -54.24 -29.12 45.47 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -178.533 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 697' ' ' HIS . . . . . 0.486 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 25.2 m80 -59.98 -30.42 69.1 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.436 178.586 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 698' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 695' ' ' HIS . 3.3 pt -106.61 -3.44 9.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -178.532 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 121.083 0.468 . . . . 0.0 110.858 -179.175 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 29.0 m120 . . . . . 0 CA--C 1.529 0.144 0 CA-C-O 120.543 0.211 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B 1105 ' ' PRO . . . . . 0.43 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 41.8 Cg_endo -67.58 148.78 79.03 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.432 2.088 . . . . 0.0 112.286 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B 1106 ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' 1105 ' ' PRO . 51.5 Cg_exo -54.4 170.86 0.48 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.485 2.123 . . . . 0.0 112.223 179.908 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.91 158.8 54.49 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.521 2.148 . . . . 0.0 112.422 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 8.5 mt -96.05 145.36 25.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B 1109 ' ' ILE . . . . . 0.581 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -115.62 122.93 70.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.886 179.86 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.68 129.66 34.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 21.5 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.99 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 662' ' ' SER . . . . . 0.408 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.865 0.364 . . . . 0.0 110.832 . . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.562 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 5.6 t -70.42 126.08 28.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.202 -179.778 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.466 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.3 m0 -63.33 -25.56 68.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.375 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -96.36 -62.65 1.24 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.435 -179.468 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.562 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.2 m -55.4 -60.94 2.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.445 -179.325 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.82 24.29 7.8 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.41 -0.9 . . . . 0.0 112.428 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -129.31 -73.99 0.56 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.767 0.318 . . . . 0.0 110.849 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 669' ' ' LYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 18.1 mmmt -146.56 149.18 33.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.034 0.445 . . . . 0.0 111.478 -179.836 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.552 ' HB2' ' CA ' ' A' ' 663' ' ' CYS . . . -140.42 142.57 35.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.989 179.537 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.7 m -120.54 -5.14 9.79 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.785 -179.519 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -109.67 156.99 19.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.926 0.393 . . . . 0.0 110.465 179.844 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 673' ' ' THR . . . . . 0.581 ' HB ' HG13 ' B' 1109 ' ' ILE . 88.4 m -132.17 139.4 48.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.456 -178.94 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.689 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 39.5 t -69.16 107.29 3.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.345 179.558 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 20.7 p -67.32 -9.76 44.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.16 -179.385 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -75.99 -49.85 8.28 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.3 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 25.7 p -110.32 -11.8 14.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.713 0.292 . . . . 0.0 111.136 179.537 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 60.24 23.63 13.02 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.984 -179.895 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 94.0 m -122.39 -36.76 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.871 0.367 . . . . 0.0 111.948 -179.208 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.989 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.18 154.13 40.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.784 -179.407 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -138.27 141.95 39.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.539 179.617 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 682' ' ' TYR . . . . . 0.427 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 91.6 m-85 -152.22 149.3 28.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.799 0.333 . . . . 0.0 110.672 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.438 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 21.1 p -93.29 -19.03 21.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.425 -179.818 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.23 149.22 21.16 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 120.246 -0.978 . . . . 0.0 112.8 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 1.8 p -47.33 -40.02 16.24 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.7 0.286 . . . . 0.0 111.423 -179.853 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -66.2 -33.62 76.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.72 179.934 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 68.0 m -63.74 -43.02 97.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.522 -179.399 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 688' ' ' GLN . . . . . 0.486 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -65.4 -37.44 86.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.824 -179.716 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 689' ' ' HIS . . . . . 0.486 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 0.4 OUTLIER -70.4 -37.24 74.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 0.0 111.319 179.789 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -52.18 66.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.089 0.471 . . . . 0.0 111.109 -179.609 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.99 -10.0 57.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.04 179.747 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.448 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 9.2 t-105 -45.73 -44.62 13.86 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 111.782 0.289 . . . . 0.0 111.782 -179.497 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.547 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.1 OUTLIER -52.82 -43.1 65.72 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.622 0.249 . . . . 0.0 111.487 -179.216 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -87.0 -44.7 11.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.383 -179.758 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.989 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 77.1 t60 -60.75 -41.86 96.25 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -178.791 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.547 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.4 p-80 -54.59 -29.27 51.1 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -178.837 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 697' ' ' HIS . . . . . 0.434 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 28.9 m80 -60.45 -31.12 70.12 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.097 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.7 mt -92.14 -53.98 7.96 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.782 -179.036 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 N--CA 1.464 0.263 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.254 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B 1104 ' ' ASN . . . . . 0.481 ' N ' HD21 ' B' 1104 ' ' ASN . 0.8 OUTLIER . . . . . 0 CA--C 1.529 0.143 0 CA-C-O 120.481 0.182 . . . . 0.0 111.002 . . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B 1105 ' ' PRO . . . . . 0.475 ' HB3' ' CD2' ' A' ' 692' ' ' TRP . 40.8 Cg_endo -68.4 149.4 74.99 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.361 2.041 . . . . 0.0 112.462 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B 1106 ' ' PRO . . . . . 0.432 ' HG2' ' HA3' ' A' ' 676' ' ' GLY . 53.8 Cg_exo -52.42 168.02 0.48 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.541 2.161 . . . . 0.0 111.931 179.668 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -74.04 164.57 34.1 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.454 2.103 . . . . 0.0 112.635 -179.727 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B 1108 ' ' LEU . . . . . 0.523 HD21 ' HB2' ' A' ' 682' ' ' TYR . 6.5 mp -98.63 147.03 25.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.196 -179.787 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B 1109 ' ' ILE . . . . . 0.577 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -116.31 123.04 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.638 179.481 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 2.7 p -84.17 131.51 34.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.851 0.358 . . . . 0.0 110.997 -179.839 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 46.9 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.959 179.974 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 662' ' ' SER . . . . . 0.419 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.891 0.377 . . . . 0.0 110.974 . . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 663' ' ' CYS . . . . . 0.534 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 6.9 t -65.67 126.66 29.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.041 -179.772 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 664' ' ' TRP . . . . . 0.466 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.1 m0 -63.79 -22.12 66.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.335 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -98.77 -63.34 1.13 Allowed 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.271 -179.644 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.523 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 84.2 m -55.62 -61.07 2.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.526 -179.383 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 104.06 25.78 6.97 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.37 -0.919 . . . . 0.0 112.452 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 15.0 ttt85 -130.87 -71.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.664 0.269 . . . . 0.0 111.006 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 669' ' ' LYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 4.2 mmtp -149.2 150.14 32.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.036 0.446 . . . . 0.0 111.473 -179.911 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 670' ' ' ALA . . . . . 0.534 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -141.49 143.06 33.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.952 179.543 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.36 -5.6 10.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.75 -179.482 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 672' ' ' GLU . . . . . 0.422 ' HB2' HD23 ' B' 1108 ' ' LEU . 1.3 mm-40 -109.76 158.96 17.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.785 0.326 . . . . 0.0 110.43 179.873 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 673' ' ' THR . . . . . 0.577 ' HB ' HG13 ' B' 1109 ' ' ILE . 58.5 m -133.62 139.45 46.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.497 -178.965 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 674' ' ' CYS . . . . . 0.709 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 43.7 t -68.11 106.37 2.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.255 179.507 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 86.7 p -67.12 -9.9 44.5 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.111 -179.352 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 676' ' ' GLY . . . . . 0.432 ' HA3' ' HG2' ' B' 1106 ' ' PRO . . . -76.08 -50.27 7.82 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.394 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 25.6 p -109.24 -11.8 14.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.645 0.26 . . . . 0.0 111.125 179.411 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.7 m120 60.41 23.62 13.19 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.075 -179.887 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 98.3 m -122.67 -36.78 2.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.962 0.41 . . . . 0.0 112.021 -179.235 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 680' ' ' ALA . . . . . 0.969 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.56 155.39 39.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.847 -179.46 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -138.31 141.94 39.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.376 179.482 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 682' ' ' TYR . . . . . 0.523 ' HB2' HD21 ' B' 1108 ' ' LEU . 89.3 m-85 -152.09 147.6 26.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.707 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.446 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.4 p -92.81 -18.91 22.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.347 -179.85 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.66 150.94 23.02 Favored Glycine 0 C--N 1.335 0.495 0 C-N-CA 120.138 -1.029 . . . . 0.0 112.948 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 685' ' ' SER . . . . . 0.449 ' O ' ' HG2' ' A' ' 688' ' ' GLN . 25.8 p -48.47 -36.05 14.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.724 0.297 . . . . 0.0 111.635 -179.754 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -67.75 -34.56 77.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.849 0.357 . . . . 0.0 110.476 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 15.2 m -64.69 -45.32 87.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.319 -179.769 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 688' ' ' GLN . . . . . 0.514 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 11.9 pt20 -61.89 -42.11 98.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.578 -179.859 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 689' ' ' HIS . . . . . 0.514 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 1.2 m-70 -70.5 -37.26 74.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.331 179.643 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -52.47 65.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.311 -179.508 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.74 -8.31 58.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.943 179.769 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 692' ' ' TRP . . . . . 0.48 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 7.0 t-105 -45.77 -44.15 13.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.753 -179.532 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 693' ' ' GLU . . . . . 0.56 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.1 OUTLIER -53.06 -41.63 65.01 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.767 0.318 . . . . 0.0 111.359 -179.481 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 22.0 mtmm -87.02 -47.6 8.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.917 0.389 . . . . 0.0 111.344 -179.889 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 695' ' ' HIS . . . . . 0.969 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 72.8 t60 -59.12 -41.0 87.17 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -178.595 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 696' ' ' HIS . . . . . 0.56 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.4 p-80 -54.72 -29.4 53.24 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -178.585 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 697' ' ' HIS . . . . . 0.534 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 24.4 m80 -61.66 -31.69 71.81 Favored 'General case' 0 C--N 1.333 -0.111 0 C-N-CA 120.431 -0.508 . . . . 0.0 109.865 178.396 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.7 mt -92.22 -54.97 6.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.983 -178.81 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.2 t . . . . . 0 N--CA 1.464 0.263 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 -179.243 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.889 0.376 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B 1102 ' ' ILE . . . . . 0.573 HD13 ' HA ' ' A' ' 693' ' ' GLU . 21.4 mt -137.45 160.56 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.951 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1103 ' ' SER . . . . . 0.499 ' N ' HG22 ' B' 1102 ' ' ILE . 0.3 OUTLIER -55.42 -173.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.981 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -103.36 113.56 65.61 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1105 ' ' PRO . . . . . 0.428 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 44.9 Cg_endo -68.16 155.64 68.73 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.46 2.107 . . . . 0.0 112.282 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -52.07 168.77 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.576 2.184 . . . . 0.0 112.282 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.02 158.35 56.89 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.538 2.159 . . . . 0.0 112.475 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 12.1 mt -97.26 145.98 25.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1109 ' ' ILE . . . . . 0.573 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -113.93 122.92 69.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.95 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.3 127.57 38.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.84 0.352 . . . . 0.0 110.824 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 36.9 t -113.29 145.94 40.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.475 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -175.89 132.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 7.7 mmmm . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.797 179.96 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 10.4 t70 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.845 0.355 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.4 m -171.49 -43.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 25.0 p -97.49 -32.24 11.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.982 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -92.65 91.41 7.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 662' ' ' SER . . . . . 0.442 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -174.19 133.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.574 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 5.9 t -66.3 125.79 26.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.452 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.4 m0 -63.64 -20.99 66.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.505 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -101.35 -63.6 1.13 Allowed 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.357 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.515 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.1 m -55.06 -61.36 2.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.543 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.4 23.95 8.14 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.42 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -127.22 -65.79 0.92 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.725 0.297 . . . . 0.0 110.837 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 669' ' ' LYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -157.0 151.97 26.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.14 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.574 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -141.35 143.05 33.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.128 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 16.0 p -119.78 -6.12 10.13 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.694 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 672' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 682' ' ' TYR . 4.8 mm-40 -109.68 157.88 18.65 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.887 0.375 . . . . 0.0 110.347 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 673' ' ' THR . . . . . 0.573 ' HB ' HG13 ' B' 1109 ' ' ILE . 53.6 m -132.36 139.55 48.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.499 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.655 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 41.4 t -68.78 106.09 2.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.239 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 24.7 p -66.41 -9.85 37.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.182 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -75.67 -50.94 7.54 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.455 -0.878 . . . . 0.0 112.275 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 24.4 p -108.92 -11.75 14.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.714 0.293 . . . . 0.0 111.127 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 59.86 23.59 12.59 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.927 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 95.8 m -122.26 -37.05 2.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.981 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.976 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.91 155.41 38.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.769 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 16.0 mmm-85 -138.32 141.73 39.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.482 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 682' ' ' TYR . . . . . 0.435 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 91.2 m-85 -152.3 148.45 27.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.565 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.459 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.3 p -93.37 -18.02 22.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.446 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.37 150.07 22.04 Favored Glycine 0 C--N 1.334 0.452 0 C-N-CA 120.186 -1.006 . . . . 0.0 112.998 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.65 -32.12 12.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.634 0.254 . . . . 0.0 111.519 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -72.48 -35.55 68.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.765 0.317 . . . . 0.0 110.618 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 35.8 m -63.03 -42.93 99.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.429 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 688' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -65.02 -37.7 88.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.87 -179.742 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 689' ' ' HIS . . . . . 0.46 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 0.3 OUTLIER -70.31 -37.89 74.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.801 0.334 . . . . 0.0 111.357 179.744 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -52.3 65.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.87 -10.24 57.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.144 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.455 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 8.8 t-105 -44.95 -45.19 10.34 Favored 'General case' 0 N--CA 1.461 0.113 0 N-CA-C 111.857 0.318 . . . . 0.0 111.857 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.573 ' HA ' HD13 ' B' 1102 ' ' ILE . 0.4 OUTLIER -52.86 -41.12 64.0 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.788 0.328 . . . . 0.0 111.413 -179.496 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 16.3 mtmt -87.14 -47.7 8.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.39 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.976 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 75.6 t60 -59.0 -42.09 89.22 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.522 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.3 p-80 -54.63 -29.3 51.76 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 697' ' ' HIS . . . . . 0.49 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 29.8 m80 -60.71 -30.73 70.13 Favored 'General case' 0 C--N 1.334 -0.067 0 C-N-CA 120.495 -0.482 . . . . 0.0 109.721 178.156 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.5 mt -93.56 -53.74 8.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.816 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.4 t -37.52 149.69 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 90.47 -19.94 40.92 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.997 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 61.78 167.54 0.11 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.788 0.328 . . . . 0.0 110.849 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 2.5 m 60.11 97.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 1.6 mp -63.91 148.08 50.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -74.52 99.54 3.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -136.74 -62.29 0.65 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.037 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -92.34 118.19 30.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.793 0.33 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B 1102 ' ' ILE . . . . . 0.496 HD13 ' HA ' ' A' ' 693' ' ' GLU . 21.1 mt -147.78 159.8 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1103 ' ' SER . . . . . 0.483 ' N ' HG22 ' B' 1102 ' ' ILE . 3.2 t -69.88 -172.39 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -99.32 115.23 65.84 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1105 ' ' PRO . . . . . 0.442 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 37.9 Cg_endo -66.52 171.18 11.04 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.458 2.106 . . . . 0.0 112.348 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1106 ' ' PRO . . . . . 0.406 ' HG3' ' HA3' ' A' ' 676' ' ' GLY . 63.6 Cg_endo -73.73 170.59 19.67 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.685 2.257 . . . . 0.0 112.369 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.67 156.27 61.28 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.559 2.173 . . . . 0.0 112.397 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 16.1 mt -96.26 145.75 25.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.781 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1109 ' ' ILE . . . . . 0.581 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -115.46 122.92 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.006 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.87 127.76 35.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 20.2 p -123.11 116.22 23.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -162.15 90.39 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 8.0 mmtp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.901 0.381 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 93.9 p -67.41 82.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 68.4 p -105.77 123.77 48.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.6 112.77 24.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.83 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 662' ' ' SER . . . . . 0.437 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -169.69 132.73 1.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.993 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.545 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 5.7 t -68.47 125.46 26.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.035 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.46 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.6 m0 -63.48 -20.32 65.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.481 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -102.37 -62.5 1.26 Allowed 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.455 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.525 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.7 m -55.71 -60.25 3.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.64 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 102.43 19.17 14.51 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.464 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -121.39 -66.44 1.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.784 0.326 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 669' ' ' LYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -157.43 152.61 25.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.157 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.545 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.09 143.22 32.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.135 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 3.2 m -120.75 -4.91 9.69 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.753 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -109.75 156.42 20.33 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.815 0.34 . . . . 0.0 110.379 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 673' ' ' THR . . . . . 0.581 ' HB ' HG13 ' B' 1109 ' ' ILE . 52.5 m -131.21 139.52 49.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.55 -178.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.642 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 41.3 t -69.34 107.72 3.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.233 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 83.0 p -67.73 -9.84 47.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.108 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 676' ' ' GLY . . . . . 0.406 ' HA3' ' HG3' ' B' 1106 ' ' PRO . . . -76.28 -49.21 8.56 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.311 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 25.6 p -110.7 -12.19 14.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.618 0.247 . . . . 0.0 111.075 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 3.2 m120 59.99 23.87 13.02 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.996 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 97.4 m -122.59 -37.02 2.83 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.971 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.07 155.27 39.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.759 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -138.2 141.81 40.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.544 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 682' ' ' TYR . . . . . 0.429 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 90.5 m-85 -152.34 148.07 27.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.612 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.448 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.8 p -92.66 -18.96 22.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.409 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -148.92 148.7 20.35 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 120.214 -0.993 . . . . 0.0 112.746 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 7.1 t -49.25 -33.45 12.81 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.711 0.291 . . . . 0.0 111.355 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -70.7 -35.39 72.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.805 0.336 . . . . 0.0 110.516 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 58.5 m -63.1 -42.24 99.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.406 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 688' ' ' GLN . . . . . 0.48 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -64.99 -37.14 86.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.853 -179.741 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 689' ' ' HIS . . . . . 0.48 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 0.4 OUTLIER -70.47 -37.4 74.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.783 0.325 . . . . 0.0 111.396 179.868 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -52.36 65.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.132 0.491 . . . . 0.0 111.211 -179.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.06 -10.11 57.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.101 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.442 ' CE2' ' HB3' ' B' 1105 ' ' PRO . 9.1 t-105 -45.18 -45.56 11.62 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.579 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.2 OUTLIER -53.03 -40.47 63.94 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.737 0.303 . . . . 0.0 111.193 -179.331 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -87.09 -48.22 8.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.897 0.379 . . . . 0.0 111.321 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.971 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 75.4 t60 -58.13 -41.59 84.02 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -178.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.579 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.4 p-80 -54.63 -29.45 52.11 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -178.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 697' ' ' HIS . . . . . 0.537 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 22.4 m80 -60.85 -31.85 71.28 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.389 -0.525 . . . . 0.0 109.768 178.268 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.8 mt -91.12 -54.6 7.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.872 -178.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.5 t -36.95 156.07 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 62.45 34.71 90.23 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.58 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -124.66 114.69 19.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.876 0.369 . . . . 0.0 110.821 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 4.4 t -132.02 176.81 8.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 703' ' ' LEU . . . . . 0.791 HD13 ' OE1' ' A' ' 706' ' ' GLN . 2.0 mt -98.56 168.0 10.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -95.01 -30.64 14.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -161.7 152.87 18.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.126 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 706' ' ' GLN . . . . . 0.791 ' OE1' HD13 ' A' ' 703' ' ' LEU . 2.7 tp60 -157.67 161.16 38.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.846 -179.949 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.889 0.376 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B 1102 ' ' ILE . . . . . 0.501 HG22 ' N ' ' B' 1103 ' ' SER . 3.0 mt -72.53 160.25 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.009 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1103 ' ' SER . . . . . 0.501 ' N ' HG22 ' B' 1102 ' ' ILE . 8.6 t -55.71 -176.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.028 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -92.63 109.21 37.18 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.957 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1105 ' ' PRO . . . . . 0.482 ' HB3' ' CD2' ' A' ' 692' ' ' TRP . 29.3 Cg_endo -64.89 171.97 7.85 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.382 2.055 . . . . 0.0 112.363 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1106 ' ' PRO . . . . . 0.434 ' HG3' ' HA3' ' A' ' 676' ' ' GLY . 59.3 Cg_endo -71.87 163.58 38.4 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.647 2.231 . . . . 0.0 111.89 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 161.29 46.49 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.38 2.053 . . . . 0.0 112.362 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1108 ' ' LEU . . . . . 0.43 ' HB3' ' HB3' ' A' ' 672' ' ' GLU . 10.3 mt -99.63 148.14 24.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.048 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1109 ' ' ILE . . . . . 0.571 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.0 OUTLIER -115.29 123.16 70.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.785 179.814 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.45 129.64 34.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.021 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 46.4 p -125.09 109.61 13.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -165.95 160.87 17.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.056 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.53 0.174 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.63 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.819 0.342 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.6 m -98.44 33.21 2.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 1.2 m -143.24 125.0 15.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 61.79 80.73 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.041 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 662' ' ' SER . . . . . 0.446 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -176.97 135.17 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.846 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.553 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 6.0 t -69.26 126.55 30.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.219 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.488 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.1 m0 -63.17 -26.28 68.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.522 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 665' ' ' ASN . . . . . 0.404 ' OD1' ' HE2' ' A' ' 690' ' ' LYS . 1.7 t30 -96.97 -62.68 1.22 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.4 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.551 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 64.1 m -54.9 -60.63 3.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.492 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.13 22.77 8.97 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.347 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.46 -72.36 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.695 0.283 . . . . 0.0 110.852 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 669' ' ' LYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 8.1 mmtt -150.12 150.17 31.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.079 0.466 . . . . 0.0 111.373 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.553 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -140.72 143.08 34.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.987 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 26.1 t -118.79 -6.1 10.6 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 672' ' ' GLU . . . . . 0.43 ' HB3' ' HB3' ' B' 1108 ' ' LEU . 4.3 mm-40 -109.72 159.92 16.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.8 0.333 . . . . 0.0 110.493 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 673' ' ' THR . . . . . 0.571 ' HB ' HG13 ' B' 1109 ' ' ILE . 52.9 m -135.02 139.74 45.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.592 -178.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.697 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 45.5 t -66.8 104.53 1.35 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.169 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 86.4 p -66.73 -9.77 40.0 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 676' ' ' GLY . . . . . 0.434 ' HA3' ' HG3' ' B' 1106 ' ' PRO . . . -79.32 -45.5 8.75 Favored Glycine 0 C--N 1.33 0.22 0 C-N-CA 120.432 -0.89 . . . . 0.0 112.523 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 12.5 p -110.1 -14.63 14.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.806 0.336 . . . . 0.0 110.959 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 4.6 m120 60.85 22.16 12.26 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.057 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 79.0 m -121.85 -37.1 2.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.909 0.385 . . . . 0.0 111.982 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.978 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.99 155.41 38.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.933 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -138.34 141.42 39.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.343 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 682' ' ' TYR . . . . . 0.417 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 95.2 m-85 -152.57 147.62 26.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.827 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.44 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 18.7 p -91.76 -19.84 22.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.167 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -152.26 152.39 24.11 Favored Glycine 0 C--N 1.334 0.471 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.838 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 685' ' ' SER . . . . . 0.444 ' O ' ' HG2' ' A' ' 688' ' ' GLN . 83.5 p -49.69 -33.12 14.92 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.808 0.337 . . . . 0.0 111.324 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -65.03 -41.39 95.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.952 0.406 . . . . 0.0 110.241 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 21.1 m -63.61 -45.09 91.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.469 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 688' ' ' GLN . . . . . 0.486 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 1.7 pt20 -61.82 -42.89 99.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.742 0.306 . . . . 0.0 110.562 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 689' ' ' HIS . . . . . 0.486 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 1.5 m-70 -70.37 -37.29 74.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.392 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 690' ' ' LYS . . . . . 0.404 ' HE2' ' OD1' ' A' ' 665' ' ' ASN . 0.0 OUTLIER -57.32 -52.58 64.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.006 0.432 . . . . 0.0 111.423 -179.302 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.85 -8.41 58.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.044 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.483 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 7.6 t-105 -45.44 -44.63 12.33 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.376 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.599 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.6 OUTLIER -52.99 -41.82 64.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.791 0.329 . . . . 0.0 111.328 -179.489 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 12.5 mtmm -87.3 -47.74 8.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.042 0.449 . . . . 0.0 111.099 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.978 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 60.3 t60 -58.8 -40.19 83.35 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -178.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.599 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.4 p-80 -54.39 -28.82 46.04 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -178.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 697' ' ' HIS . . . . . 0.424 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 24.3 m80 -60.29 -32.22 70.99 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.588 178.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.2 pt -106.59 -3.74 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -178.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 699' ' ' CYS . . . . . 0.404 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . 1.8 t -62.68 101.58 0.27 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.938 0.399 . . . . 0.0 111.271 -179.107 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -48.33 -26.36 4.86 Favored Glycine 0 CA--C 1.519 0.296 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.827 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -55.07 101.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 111.054 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 68.9 m -134.98 111.86 10.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.821 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.75 -36.1 5.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -85.07 57.4 4.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -149.5 139.91 22.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -107.87 -67.44 0.96 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 90.4 m . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.802 0.334 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B 1102 ' ' ILE . . . . . 0.588 HD13 ' HA ' ' A' ' 693' ' ' GLU . 16.7 mt -146.54 158.79 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1103 ' ' SER . . . . . 0.453 ' N ' HG22 ' B' 1102 ' ' ILE . 34.4 m -71.66 174.76 6.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.999 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1104 ' ' ASN . . . . . 0.485 ' HA ' ' HD3' ' B' 1105 ' ' PRO . 12.5 m-20 -86.8 127.29 60.6 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.689 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1105 ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' B' 1104 ' ' ASN . 2.3 Cg_endo -82.95 151.75 14.33 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.564 2.176 . . . . 0.0 112.092 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -52.1 168.53 0.37 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.523 2.149 . . . . 0.0 112.166 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -69.43 160.67 48.89 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.603 2.202 . . . . 0.0 112.45 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1108 ' ' LEU . . . . . 0.474 HD11 ' HG2' ' A' ' 688' ' ' GLN . 19.8 mt -97.44 146.91 24.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.845 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1109 ' ' ILE . . . . . 0.572 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.1 pt -114.22 122.93 69.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.933 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 4.8 p -84.12 133.61 34.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 47.4 p -126.99 121.77 32.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -167.6 154.69 8.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 4.2 mttp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.969 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.799 0.333 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.4 m -59.5 -35.34 73.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 1.3 t -113.63 159.36 19.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -157.85 112.35 2.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.955 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 662' ' ' SER . . . . . 0.447 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 13.2 p -175.95 138.28 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.578 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 8.0 t -69.36 127.14 31.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.053 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.49 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.5 m0 -63.17 -26.69 68.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.553 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -96.46 -62.62 1.24 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.52 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.539 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 69.7 m -55.07 -60.55 3.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.48 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 102.79 24.85 7.9 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -129.22 -70.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.64 0.257 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 669' ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 11.2 mmtp -150.8 149.35 29.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.017 0.437 . . . . 0.0 111.423 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.578 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -140.49 142.83 35.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.961 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 6.9 m -119.67 -5.53 10.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.735 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -109.68 159.14 17.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.877 0.37 . . . . 0.0 110.446 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 673' ' ' THR . . . . . 0.572 ' HB ' HG13 ' B' 1109 ' ' ILE . 86.0 m -135.49 139.55 44.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.511 -178.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.628 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 41.8 t -66.44 103.56 1.07 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.126 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 79.3 p -65.2 -10.06 28.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.184 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -78.54 -43.96 11.54 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.429 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 22.7 p -113.49 -14.14 12.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.662 0.268 . . . . 0.0 111.267 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 60.48 23.49 13.13 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.049 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 80.3 m -122.08 -37.45 2.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.916 0.388 . . . . 0.0 111.933 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.938 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -75.19 155.21 37.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.819 -179.416 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -138.3 141.79 39.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.5 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 682' ' ' TYR . . . . . 0.452 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 90.0 m-85 -152.32 148.02 27.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.6 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.461 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 19.7 p -92.85 -18.27 23.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.458 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.37 150.9 23.0 Favored Glycine 0 C--N 1.334 0.444 0 C-N-CA 120.155 -1.021 . . . . 0.0 113.258 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 685' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' A' ' 688' ' ' GLN . 19.0 p -51.8 -22.78 3.94 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 686' ' ' PHE . . . . . 0.406 ' CE2' ' SG ' ' A' ' 687' ' ' CYS . 38.0 p90 -81.32 -34.72 31.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.77 0.319 . . . . 0.0 110.566 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 687' ' ' CYS . . . . . 0.406 ' SG ' ' CE2' ' A' ' 686' ' ' PHE . 16.3 m -64.27 -43.89 93.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.252 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 688' ' ' GLN . . . . . 0.474 ' HG2' HD11 ' B' 1108 ' ' LEU . 1.5 pp0? -61.62 -42.36 98.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.732 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 689' ' ' HIS . . . . . 0.412 ' HA ' ' HB2' ' A' ' 692' ' ' TRP . 0.0 OUTLIER -68.63 -37.15 79.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.482 179.84 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -52.38 65.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.064 0.459 . . . . 0.0 111.225 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.24 -10.31 56.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.054 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.433 ' CD2' ' HG3' ' B' 1105 ' ' PRO . 11.7 t-105 -45.41 -44.18 11.83 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.588 ' HA ' HD13 ' B' 1102 ' ' ILE . 0.2 OUTLIER -52.96 -41.52 64.62 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.657 0.265 . . . . 0.0 111.392 -179.291 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 3.9 mtmm -87.13 -47.68 8.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.911 0.386 . . . . 0.0 111.232 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.938 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 57.1 t60 -57.41 -43.09 83.44 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.545 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.4 p-80 -54.55 -28.79 48.23 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -178.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 697' ' ' HIS . . . . . 0.414 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 31.5 m170 -60.97 -24.99 66.52 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.391 178.369 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.33 -6.04 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -178.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 699' ' ' CYS . . . . . 0.408 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . 2.1 t -69.73 133.65 47.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.865 0.364 . . . . 0.0 111.012 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 62.25 26.64 68.01 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.518 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -167.3 89.52 0.33 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.838 0.351 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 702' ' ' THR . . . . . 0.466 HG22 ' H ' ' A' ' 703' ' ' LEU . 0.2 OUTLIER -107.16 175.65 5.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 703' ' ' LEU . . . . . 0.466 ' H ' HG22 ' A' ' 702' ' ' THR . 4.3 tp -160.04 -45.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -135.3 149.18 49.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -100.59 119.75 39.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.02 -45.08 1.73 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.931 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 14.4 p . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.851 0.358 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B 1102 ' ' ILE . . . . . 0.483 HG22 ' N ' ' B' 1103 ' ' SER . 22.8 mt -140.41 159.61 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1103 ' ' SER . . . . . 0.483 ' N ' HG22 ' B' 1102 ' ' ILE . 2.7 t -63.33 171.97 2.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -87.45 118.59 70.06 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.817 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1105 ' ' PRO . . . . . 0.427 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 37.7 Cg_endo -65.97 171.66 9.65 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.401 2.067 . . . . 0.0 112.404 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1106 ' ' PRO . . . . . 0.405 ' HG3' ' HA3' ' A' ' 676' ' ' GLY . 58.3 Cg_endo -71.94 170.91 17.71 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.701 2.267 . . . . 0.0 112.319 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.65 156.57 60.77 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.61 2.206 . . . . 0.0 112.395 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 20.4 mt -96.44 145.83 25.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.803 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1109 ' ' ILE . . . . . 0.575 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -116.08 122.99 70.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 36.4 p -81.49 129.7 34.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 61.1 p -127.12 112.03 14.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -134.45 85.48 2.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 16.0 mtmt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.791 0.329 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 2.2 m -98.66 36.31 1.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 50.5 m -86.6 130.37 34.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 61.24 111.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 662' ' ' SER . . . . . 0.484 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.3 OUTLIER -173.56 128.56 0.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.046 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.535 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 5.7 t -65.95 125.82 26.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.006 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.475 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.9 m0 -63.14 -20.16 65.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.48 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -103.22 -62.67 1.26 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.457 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.519 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.7 m -55.44 -60.43 3.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.645 -179.122 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.55 23.46 9.46 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.437 -0.887 . . . . 0.0 112.405 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.42 -62.01 1.23 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.748 0.309 . . . . 0.0 110.838 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 669' ' ' LYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -163.12 153.17 15.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.104 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.535 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.46 143.86 32.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.175 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 60.7 m -120.64 -4.89 9.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.672 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -109.66 157.99 18.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.822 0.344 . . . . 0.0 110.454 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 673' ' ' THR . . . . . 0.575 ' HB ' HG13 ' B' 1109 ' ' ILE . 61.9 m -133.22 139.46 47.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.569 -178.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.656 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 39.1 t -68.94 106.94 2.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.165 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 85.4 p -67.12 -9.73 42.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.16 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 676' ' ' GLY . . . . . 0.405 ' HA3' ' HG3' ' B' 1106 ' ' PRO . . . -76.49 -48.75 8.8 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.473 -0.87 . . . . 0.0 112.303 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 25.1 p -110.99 -12.39 14.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.632 0.253 . . . . 0.0 111.166 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.4 m120 60.17 23.68 13.0 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.75 0.31 . . . . 0.0 110.965 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 97.2 m -122.28 -37.06 2.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.927 0.394 . . . . 0.0 112.013 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.988 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.58 154.78 39.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.721 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -138.28 141.73 39.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.521 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 682' ' ' TYR . . . . . 0.431 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 91.0 m-85 -152.36 148.52 27.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.695 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.436 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.0 p -93.0 -18.55 22.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.409 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.55 149.32 21.25 Favored Glycine 0 C--N 1.334 0.417 0 C-N-CA 120.237 -0.982 . . . . 0.0 112.887 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 8.6 t -50.12 -30.66 11.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.709 0.29 . . . . 0.0 111.534 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -73.42 -35.46 65.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.759 0.314 . . . . 0.0 110.49 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 40.9 m -63.44 -42.22 98.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.391 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 688' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -64.95 -37.51 87.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.864 -179.756 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 689' ' ' HIS . . . . . 0.458 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 0.3 OUTLIER -70.43 -37.39 74.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.797 0.332 . . . . 0.0 111.43 179.806 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -52.5 65.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.128 0.49 . . . . 0.0 111.226 -179.605 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.01 -10.08 57.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.105 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.439 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 9.7 t-105 -45.09 -45.31 11.0 Favored 'General case' 0 CA--C 1.527 0.083 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.534 ' O ' ' CE1' ' A' ' 697' ' ' HIS . 0.3 OUTLIER -52.89 -40.87 63.84 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.762 0.315 . . . . 0.0 111.281 -179.518 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -87.18 -47.9 8.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.414 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.988 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 78.2 t60 -59.29 -41.52 89.13 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.509 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.523 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.3 p-80 -54.59 -29.36 51.33 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 697' ' ' HIS . . . . . 0.534 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 27.1 m80 -61.11 -31.56 71.25 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.464 -0.495 . . . . 0.0 109.689 178.118 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.7 mt -90.92 -54.75 7.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.737 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.6 t -36.17 155.08 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 66.39 35.15 89.76 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.526 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -159.97 85.64 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.812 0.339 . . . . 0.0 110.823 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 3.4 p -60.09 150.9 28.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 1.8 mp -98.84 140.34 33.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.6 171.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -136.09 -48.64 0.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.093 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -153.66 75.23 1.03 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.937 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 81.4 m . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.827 0.346 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B 1102 ' ' ILE . . . . . 0.501 HG22 ' N ' ' B' 1103 ' ' SER . 3.7 mt -94.34 160.22 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1103 ' ' SER . . . . . 0.501 ' N ' HG22 ' B' 1102 ' ' ILE . 6.3 t -56.98 159.99 3.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.833 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -75.72 112.97 22.46 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.033 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1105 ' ' PRO . . . . . 0.453 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 32.6 Cg_endo -65.01 172.05 7.88 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.364 2.043 . . . . 0.0 112.354 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1106 ' ' PRO . . . . . 0.421 ' HG3' ' HA3' ' A' ' 676' ' ' GLY . 71.9 Cg_endo -74.62 170.02 21.24 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.668 2.245 . . . . 0.0 112.302 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.16 156.67 59.08 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.514 2.143 . . . . 0.0 112.315 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1108 ' ' LEU . . . . . 0.704 HD11 ' HG2' ' A' ' 688' ' ' GLN . 45.6 mt -96.45 145.75 25.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1109 ' ' ILE . . . . . 0.578 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -115.62 123.01 70.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 78.6 p -83.47 128.42 34.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 66.5 p -122.3 117.4 26.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -158.58 65.75 0.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 22.6 mtmm . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.794 0.33 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 29.5 m -107.39 31.41 5.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.98 136.37 9.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -128.42 117.49 21.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 662' ' ' SER . . . . . 0.468 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -171.88 130.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.062 179.871 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.564 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 5.1 t -65.14 125.64 25.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.159 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.504 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.4 m0 -62.25 -20.94 64.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.563 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 665' ' ' ASN . . . . . 0.402 ' OD1' ' HE2' ' A' ' 690' ' ' LYS . 3.2 t30 -103.92 -61.99 1.36 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.574 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.537 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 58.8 m -54.69 -61.37 2.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.633 -179.112 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 102.66 24.08 8.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.289 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.24 -62.84 1.08 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.691 0.282 . . . . 0.0 110.932 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 669' ' ' LYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -161.23 152.71 19.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.96 0.41 . . . . 0.0 111.22 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.564 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.6 143.96 32.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.04 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.3 m -120.46 -5.11 9.83 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -109.67 158.51 18.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.867 0.365 . . . . 0.0 110.546 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 673' ' ' THR . . . . . 0.578 ' HB ' HG13 ' B' 1109 ' ' ILE . 86.8 m -133.87 139.51 46.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.585 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.667 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 42.4 t -68.2 106.57 2.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.209 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 84.3 p -67.85 -9.33 43.77 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 676' ' ' GLY . . . . . 0.421 ' HA3' ' HG3' ' B' 1106 ' ' PRO . . . -79.15 -45.23 9.06 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.451 -0.88 . . . . 0.0 112.423 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 19.2 p -111.64 -14.7 13.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.775 0.321 . . . . 0.0 111.087 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 3.2 m120 60.87 22.85 12.92 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.014 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 94.3 m -121.74 -36.97 2.94 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.968 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.93 154.37 39.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.971 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -138.29 141.31 39.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.417 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 682' ' ' TYR . . . . . 0.453 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 91.7 m-85 -152.87 148.89 27.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.73 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 18.7 p -92.24 -18.81 22.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.264 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -151.92 152.26 24.03 Favored Glycine 0 C--N 1.334 0.465 0 C-N-CA 120.372 -0.918 . . . . 0.0 112.98 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 685' ' ' SER . . . . . 0.445 ' O ' ' HG3' ' A' ' 688' ' ' GLN . 4.3 t -53.0 -22.11 5.27 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.599 0.238 . . . . 0.0 111.55 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -75.96 -41.43 51.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.006 0.431 . . . . 0.0 110.15 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 18.4 m -63.08 -44.97 94.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.609 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 688' ' ' GLN . . . . . 0.704 ' HG2' HD11 ' B' 1108 ' ' LEU . 1.4 pp0? -61.73 -42.31 98.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.621 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 689' ' ' HIS . . . . . 0.43 ' HA ' ' HB2' ' A' ' 692' ' ' TRP . 0.1 OUTLIER -69.05 -37.21 78.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.821 0.343 . . . . 0.0 111.209 179.635 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 690' ' ' LYS . . . . . 0.402 ' HE2' ' OD1' ' A' ' 665' ' ' ASN . 0.0 OUTLIER -57.25 -52.53 64.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.245 -179.605 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.98 -9.02 58.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.08 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.462 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 8.3 t-105 -45.11 -44.54 10.59 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.589 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.7 OUTLIER -52.89 -42.07 64.96 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.816 0.341 . . . . 0.0 111.282 -179.362 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 20.5 mtmm -87.32 -47.27 8.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.895 0.378 . . . . 0.0 111.254 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.968 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 59.5 t60 -59.4 -40.03 85.33 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.455 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.589 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.4 p-80 -54.26 -29.07 45.68 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -178.572 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 697' ' ' HIS . . . . . 0.442 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 24.2 m80 -60.35 -32.2 71.03 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.481 178.558 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 698' ' ' ILE . . . . . 0.477 HD11 ' HD1' ' A' ' 695' ' ' HIS . 3.1 pt -105.34 -3.76 9.78 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -178.462 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 699' ' ' CYS . . . . . 0.423 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . 1.8 t -63.49 101.4 0.33 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.955 0.407 . . . . 0.0 111.28 -179.226 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -46.9 -27.02 3.13 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.754 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 65.42 116.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.79 0.328 . . . . 0.0 111.021 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 1.6 m 59.77 160.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.977 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -98.08 -176.84 3.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 63.87 163.45 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -70.93 156.47 39.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.048 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -176.91 156.29 1.32 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 10.9 tm0? . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.882 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.803 0.335 . . . . 0.0 111.268 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B 1102 ' ' ILE . . . . . 0.523 HG12 ' CE1' ' A' ' 696' ' ' HIS . 5.2 mp 60.24 -82.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.316 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1103 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -150.64 -175.55 5.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.774 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 15.6 m120 -96.76 105.21 21.82 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1105 ' ' PRO . . . . . 0.462 ' HB3' ' CZ2' ' A' ' 692' ' ' TRP . 56.6 Cg_endo -70.91 159.27 53.08 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.513 2.142 . . . . 0.0 112.431 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -55.89 173.18 0.43 Allowed 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.617 2.211 . . . . 0.0 112.187 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -73.84 160.08 44.04 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.617 2.211 . . . . 0.0 112.645 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1108 ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 673' ' ' THR . 7.0 mt -95.54 144.92 25.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.704 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1109 ' ' ILE . . . . . 0.576 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -114.77 122.87 69.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.978 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 53.2 p -90.32 129.9 36.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 93.3 p -124.18 119.45 29.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -160.71 92.07 0.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.84 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 2.3 t0 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.856 0.36 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.5 m -150.65 79.87 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 1.4 m -95.0 -30.7 13.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -96.29 77.45 3.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 662' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -169.35 132.29 1.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 6.2 t -68.24 125.78 27.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.012 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.482 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 16.1 m0 -63.39 -20.15 65.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.522 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -102.59 -62.82 1.22 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.503 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.516 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 65.6 m -55.39 -61.11 2.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.644 -179.209 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.22 22.58 10.45 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.352 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.77 -60.37 1.38 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.845 0.355 . . . . 0.0 110.819 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 669' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -164.41 152.98 12.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.496 ' HB2' ' CA ' ' A' ' 663' ' ' CYS . . . -143.02 143.68 31.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.232 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.4 m -120.16 -5.07 9.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.687 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -109.69 157.61 18.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.878 0.37 . . . . 0.0 110.512 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 673' ' ' THR . . . . . 0.576 ' HB ' HG13 ' B' 1109 ' ' ILE . 65.7 m -131.8 139.42 48.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.45 -178.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.707 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 44.3 t -69.13 107.04 3.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.237 179.515 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 27.0 p -67.43 -10.24 49.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.017 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -74.39 -53.33 6.81 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.137 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.0 p -107.89 -10.56 15.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.687 0.279 . . . . 0.0 111.118 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 29.5 m120 60.29 23.81 13.25 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.096 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 97.3 m -122.64 -36.99 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.973 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -72.92 154.95 40.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.802 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -138.33 141.81 39.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.392 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 682' ' ' TYR . . . . . 0.446 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 90.6 m-85 -152.34 148.46 27.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.728 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.434 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 21.4 p -92.09 -19.44 22.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.21 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.5 149.96 21.9 Favored Glycine 0 C--N 1.334 0.434 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.538 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 1.4 p -47.81 -39.04 17.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.668 0.27 . . . . 0.0 111.4 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -64.34 -36.36 83.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 38.7 m -64.05 -44.07 93.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.882 0.373 . . . . 0.0 111.122 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 688' ' ' GLN . . . . . 0.516 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -62.9 -40.6 98.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.658 -179.835 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 689' ' ' HIS . . . . . 0.516 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 0.5 OUTLIER -69.91 -37.02 75.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.359 179.784 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -52.23 66.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.124 0.488 . . . . 0.0 111.187 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.9 -9.81 57.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.0 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.482 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 7.8 t-105 -45.26 -44.86 11.59 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.62 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.567 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.5 OUTLIER -52.89 -41.58 64.5 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.796 0.331 . . . . 0.0 111.245 -179.55 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm -87.07 -48.08 8.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.235 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.973 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 69.0 t60 -57.54 -42.02 82.1 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -178.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.567 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.3 p-80 -54.74 -29.09 52.73 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -178.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 697' ' ' HIS . . . . . 0.426 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 30.0 m80 -61.06 -31.59 71.24 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.537 -0.465 . . . . 0.0 109.823 178.146 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.6 mt -92.58 -54.92 6.69 Favored 'Isoleucine or valine' 0 C--O 1.231 0.104 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.919 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.3 t -38.94 159.26 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -179.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 61.98 36.54 93.02 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.642 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -139.24 33.0 2.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.843 0.354 . . . . 0.0 110.855 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 77.0 p -122.79 158.19 30.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 703' ' ' LEU . . . . . 0.59 HD13 ' H ' ' A' ' 704' ' ' GLN . 0.2 OUTLIER 62.23 150.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 704' ' ' GLN . . . . . 0.59 ' H ' HD13 ' A' ' 703' ' ' LEU . 0.0 OUTLIER -152.2 113.09 4.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.99 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -133.74 -46.72 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.0 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -145.44 126.58 14.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.962 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.809 -179.95 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.812 0.339 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B 1102 ' ' ILE . . . . . 0.572 HD13 ' HA ' ' A' ' 693' ' ' GLU . 21.3 mt -139.99 159.67 26.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.085 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1103 ' ' SER . . . . . 0.484 ' N ' HG22 ' B' 1102 ' ' ILE . 3.0 m -64.75 175.97 1.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 2.0 m120 -92.55 114.77 63.41 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1105 ' ' PRO . . . . . 0.429 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 38.1 Cg_endo -66.75 157.88 58.92 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.385 2.056 . . . . 0.0 112.347 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1106 ' ' PRO . . . . . 0.401 ' HG2' ' HA3' ' A' ' 676' ' ' GLY . 51.0 Cg_exo -53.43 170.21 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.659 2.239 . . . . 0.0 112.219 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.67 158.71 54.98 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.587 2.192 . . . . 0.0 112.528 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 10.5 mt -96.59 145.95 25.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1109 ' ' ILE . . . . . 0.58 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -114.86 122.93 69.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.802 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.59 128.93 34.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.84 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 83.3 p -120.75 125.61 48.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -167.15 118.7 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 42.1 mttt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.822 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.809 0.338 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 34.4 t -137.27 -69.07 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 75.4 p -160.4 161.51 33.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.96 109.93 22.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 662' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -174.52 133.93 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.551 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 7.4 t -66.82 125.88 27.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.032 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.472 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.3 m0 -62.28 -23.4 66.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.604 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -100.48 -62.49 1.23 Allowed 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.578 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.53 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 64.1 m -55.06 -61.23 2.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.592 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 102.08 24.09 8.73 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.401 -0.904 . . . . 0.0 112.377 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.71 -64.28 1.03 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 0.0 110.821 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 669' ' ' LYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -159.32 152.0 21.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.057 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.551 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.19 143.47 32.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.141 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.7 m -120.27 -5.03 9.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.72 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -109.7 157.52 19.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.902 0.382 . . . . 0.0 110.416 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 673' ' ' THR . . . . . 0.58 ' HB ' HG13 ' B' 1109 ' ' ILE . 68.0 m -133.65 139.46 46.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.445 -178.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.67 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 42.8 t -67.88 106.08 2.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.19 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 22.8 p -67.44 -9.6 43.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.121 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 676' ' ' GLY . . . . . 0.401 ' HA3' ' HG2' ' B' 1106 ' ' PRO . . . -78.51 -46.53 8.76 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.409 -0.9 . . . . 0.0 112.432 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 17.9 p -110.89 -14.08 14.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.734 0.302 . . . . 0.0 111.106 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 5.1 m120 60.73 22.52 12.45 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.953 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 94.7 m -121.49 -37.09 2.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.97 0.415 . . . . 0.0 111.985 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.963 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -74.14 154.11 39.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.987 -179.354 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 12.0 mmm-85 -138.32 141.63 39.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.449 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 682' ' ' TYR . . . . . 0.432 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 90.7 m-85 -152.41 148.88 27.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.792 0.329 . . . . 0.0 110.681 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.435 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.0 p -92.92 -18.59 22.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.298 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.0 150.25 22.28 Favored Glycine 0 C--N 1.334 0.433 0 C-N-CA 120.189 -1.005 . . . . 0.0 112.869 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 10.9 p -50.05 -31.1 12.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.634 0.254 . . . . 0.0 111.559 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -73.09 -35.77 66.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.663 0.268 . . . . 0.0 110.648 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 35.5 m -63.45 -42.71 98.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.471 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 688' ' ' GLN . . . . . 0.463 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -64.34 -37.79 88.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.937 -179.687 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 689' ' ' HIS . . . . . 0.463 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 0.4 OUTLIER -70.37 -37.36 74.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.784 0.326 . . . . 0.0 111.496 179.867 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -52.4 65.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.113 0.482 . . . . 0.0 111.24 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.06 -9.92 57.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.104 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.45 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 9.8 t-105 -45.49 -44.75 12.72 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.584 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.2 OUTLIER -52.86 -43.13 65.85 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.659 0.266 . . . . 0.0 111.489 -179.162 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -87.17 -45.01 11.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.831 0.348 . . . . 0.0 111.326 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.963 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 62.8 t60 -61.14 -39.97 92.09 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -178.559 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.584 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.4 p-80 -54.38 -29.04 47.23 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -178.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 697' ' ' HIS . . . . . 0.436 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 24.0 m80 -60.25 -31.62 70.37 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.349 178.481 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 698' ' ' ILE . . . . . 0.482 HD11 ' HD1' ' A' ' 695' ' ' HIS . 3.1 pt -105.53 -3.56 9.81 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -178.505 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 699' ' ' CYS . . . . . 0.44 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . 1.8 t -64.54 100.58 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.012 0.434 . . . . 0.0 111.359 -179.076 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -49.19 -26.51 6.49 Favored Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.901 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -59.03 -67.27 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.789 0.328 . . . . 0.0 111.134 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 14.4 t -55.69 155.68 5.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.109 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 61.62 153.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -161.63 -44.62 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . 59.79 -176.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -141.55 160.0 41.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.917 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 19.3 p . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.877 0.37 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B 1102 ' ' ILE . . . . . 0.487 HD13 ' HA ' ' A' ' 693' ' ' GLU . 22.8 mt -88.67 159.73 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1103 ' ' SER . . . . . 0.472 ' N ' HG22 ' B' 1102 ' ' ILE . 1.4 m -59.91 177.15 0.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.957 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -94.34 112.51 57.84 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1105 ' ' PRO . . . . . 0.432 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 39.3 Cg_endo -66.99 149.63 82.8 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.381 2.054 . . . . 0.0 112.371 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.11 171.26 0.39 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.545 2.163 . . . . 0.0 112.168 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.77 158.52 55.39 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.542 2.161 . . . . 0.0 112.453 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 14.1 mt -96.34 145.96 25.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.822 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1109 ' ' ILE . . . . . 0.578 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -115.07 122.89 70.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.888 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 2.0 p -85.26 128.74 34.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 7.5 p -127.85 112.66 14.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -148.55 87.56 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.102 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 9.2 mttp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.967 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 11.9 t70 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.789 0.328 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -176.59 -65.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.6 -32.68 74.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -70.63 108.47 4.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 662' ' ' SER . . . . . 0.433 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.3 OUTLIER -176.57 133.02 0.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.021 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.579 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 6.7 t -64.38 126.21 27.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.449 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.0 m0 -62.43 -21.88 65.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.576 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -101.97 -62.58 1.24 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.597 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.537 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 69.2 m -55.05 -61.46 2.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.612 -179.273 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.25 24.8 7.74 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.391 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -128.16 -65.48 0.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.837 0.351 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 669' ' ' LYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -157.04 152.1 26.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.095 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.579 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -141.93 143.31 33.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.07 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 26.2 t -120.54 -5.54 9.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.691 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -109.74 157.35 19.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.91 0.386 . . . . 0.0 110.443 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 673' ' ' THR . . . . . 0.578 ' HB ' HG13 ' B' 1109 ' ' ILE . 54.0 m -132.94 139.43 47.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.424 -178.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.699 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 42.3 t -67.96 106.04 2.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.204 179.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 16.9 p -66.89 -9.91 42.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 112.198 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -78.13 -46.88 8.82 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.369 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 18.6 p -110.87 -13.61 14.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.68 0.276 . . . . 0.0 111.087 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 16.4 m120 60.29 22.65 12.1 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.006 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 99.7 m -121.45 -36.81 3.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.975 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.966 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -74.03 153.99 39.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.891 -179.345 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -138.3 141.78 39.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.507 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 682' ' ' TYR . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 91.5 m-85 -152.38 148.89 28.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.702 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.419 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.9 p -92.87 -17.96 23.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.448 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.82 149.71 21.68 Favored Glycine 0 C--N 1.334 0.44 0 C-N-CA 120.273 -0.965 . . . . 0.0 112.805 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 17.8 p -49.09 -34.4 13.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.688 0.28 . . . . 0.0 111.45 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -70.51 -35.1 73.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.75 0.31 . . . . 0.0 110.738 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 58.3 m -63.4 -42.55 98.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.479 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 688' ' ' GLN . . . . . 0.479 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -65.13 -37.92 88.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.966 -179.765 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 689' ' ' HIS . . . . . 0.479 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 0.3 OUTLIER -70.32 -37.47 74.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.798 0.332 . . . . 0.0 111.289 179.728 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.39 -52.4 65.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.06 0.457 . . . . 0.0 111.115 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.98 -10.1 57.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.106 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.449 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 10.1 t-105 -45.56 -43.13 11.74 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.596 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.5 OUTLIER -52.83 -47.74 67.48 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -178.83 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 694' ' ' LYS . . . . . 0.404 ' N ' ' CG ' ' A' ' 693' ' ' GLU . 0.0 OUTLIER -86.85 -36.77 18.27 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.597 -179.463 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.966 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 61.4 t60 -67.05 -39.4 86.9 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -178.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.596 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.5 p-80 -54.43 -28.99 47.87 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -178.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 697' ' ' HIS . . . . . 0.439 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 23.3 m80 -60.49 -30.71 69.87 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.37 178.394 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 698' ' ' ILE . . . . . 0.449 HD11 ' HD1' ' A' ' 695' ' ' HIS . 2.9 pt -106.51 -3.55 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -178.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 699' ' ' CYS . . . . . 0.451 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . 1.8 t -63.48 100.2 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.359 . . . . 0.0 111.361 -179.117 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -50.09 -27.92 11.7 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.728 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 59.1 26.64 15.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.754 0.311 . . . . 0.0 110.975 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 1.4 m -146.73 151.84 37.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 703' ' ' LEU . . . . . 0.49 ' N ' HD12 ' A' ' 703' ' ' LEU . 5.0 mp -118.13 39.33 3.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 4.2 tm0? -77.04 123.03 25.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -157.24 31.72 0.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.093 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -167.33 101.16 0.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.838 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 41.7 p . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.844 0.354 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B 1102 ' ' ILE . . . . . 0.447 HD13 ' HA ' ' A' ' 693' ' ' GLU . 16.6 mt -105.31 158.67 5.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.065 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1103 ' ' SER . . . . . 0.437 ' N ' HG22 ' B' 1102 ' ' ILE . 1.5 t -63.59 -169.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 18.2 m120 -103.7 111.95 65.37 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1105 ' ' PRO . . . . . 0.478 ' HB3' ' CD2' ' A' ' 692' ' ' TRP . 39.8 Cg_endo -68.14 152.19 76.47 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.432 2.088 . . . . 0.0 112.442 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.25 168.13 0.65 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.344 2.03 . . . . 0.0 111.898 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.52 163.32 38.89 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.47 2.113 . . . . 0.0 112.635 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1108 ' ' LEU . . . . . 0.608 HD11 ' HB3' ' A' ' 688' ' ' GLN . 61.4 mt -98.89 147.8 24.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1109 ' ' ILE . . . . . 0.571 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.2 pt -115.72 122.89 70.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.85 130.85 34.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 77.9 p -122.94 118.32 27.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -148.9 77.98 1.39 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.072 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 25.1 mmtt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.818 0.342 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.6 m -169.72 -52.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 1.3 m -81.76 143.74 31.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -134.98 112.56 10.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 662' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.3 OUTLIER -170.2 130.06 0.93 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.045 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.506 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 6.9 t -65.29 126.57 28.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.012 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.446 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.6 m0 -64.56 -17.45 63.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.457 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -103.99 -63.39 1.2 Allowed 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.313 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.487 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 92.2 m -55.88 -61.63 2.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.494 -179.319 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.0 23.51 8.56 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.432 -0.889 . . . . 0.0 112.413 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.02 -62.4 1.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.856 0.36 . . . . 0.0 110.816 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 669' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -161.05 153.08 19.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.043 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.506 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.1 143.33 33.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.099 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 2.0 t -119.54 -6.25 10.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.68 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -109.74 157.99 18.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.865 0.364 . . . . 0.0 110.365 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 673' ' ' THR . . . . . 0.571 ' HB ' HG13 ' B' 1109 ' ' ILE . 67.3 m -132.51 139.43 47.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.476 -178.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.659 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 43.6 t -67.98 105.66 2.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.212 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 97.2 p -66.41 -10.19 41.31 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.125 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -76.52 -49.31 8.21 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.457 -0.878 . . . . 0.0 112.346 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 23.0 p -109.92 -12.3 14.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.626 0.251 . . . . 0.0 111.102 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 2.8 m120 60.08 23.0 12.22 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.032 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 96.0 m -121.97 -37.12 2.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.918 0.389 . . . . 0.0 112.005 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.958 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.64 156.21 38.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.733 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 45.6 mmm-85 -138.17 142.11 40.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.434 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -151.99 146.95 25.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.785 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.444 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 21.5 p -92.81 -18.64 22.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.377 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.86 150.45 22.52 Favored Glycine 0 C--N 1.334 0.446 0 C-N-CA 120.135 -1.031 . . . . 0.0 112.998 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 685' ' ' SER . . . . . 0.427 ' O ' ' HG2' ' A' ' 688' ' ' GLN . 80.5 p -48.8 -33.48 10.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.646 0.26 . . . . 0.0 111.659 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -70.43 -35.09 73.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 110.457 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 14.6 m -64.1 -44.3 92.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.336 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 688' ' ' GLN . . . . . 0.608 ' HB3' HD11 ' B' 1108 ' ' LEU . 10.7 pt20 -61.67 -42.98 99.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.734 0.302 . . . . 0.0 110.467 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 689' ' ' HIS . . . . . 0.544 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 1.5 m-70 -70.45 -37.19 74.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.28 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.34 -52.34 65.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.329 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.7 -8.21 58.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.949 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.478 ' CD2' ' HB3' ' B' 1105 ' ' PRO . 7.4 t-105 -46.43 -42.93 15.98 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.714 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.591 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.4 OUTLIER -52.89 -47.85 67.59 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -178.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 694' ' ' LYS . . . . . 0.403 ' N ' ' CG ' ' A' ' 693' ' ' GLU . 0.0 OUTLIER -86.74 -36.43 18.64 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.613 -179.346 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.958 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 78.5 t60 -67.15 -40.04 86.64 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.047 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.591 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.5 p-80 -54.78 -29.25 53.68 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -178.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 697' ' ' HIS . . . . . 0.477 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 21.6 m80 -61.61 -32.05 72.15 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 120.411 -0.516 . . . . 0.0 109.695 178.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.6 mt -90.79 -55.2 6.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.8 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.0 t -36.37 155.22 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.411 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 71.69 34.54 62.78 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.515 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -94.85 -36.86 11.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.792 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 91.5 m -131.6 136.31 47.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.823 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 85.3 mt -106.45 -44.38 4.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -132.85 148.36 52.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -67.5 86.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.058 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -65.91 114.76 5.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.913 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 21.0 p . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.775 0.321 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B 1102 ' ' ILE . . . . . 0.632 HD13 ' CE1' ' A' ' 696' ' ' HIS . 22.2 mt -121.85 160.31 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.057 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1103 ' ' SER . . . . . 0.481 ' N ' HG22 ' B' 1102 ' ' ILE . 3.0 m -55.49 174.54 0.09 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -94.89 124.96 52.83 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1105 ' ' PRO . . . . . 0.448 ' HB3' ' CD2' ' A' ' 692' ' ' TRP . 44.0 Cg_endo -68.45 168.86 18.49 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.418 2.079 . . . . 0.0 112.41 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1106 ' ' PRO . . . . . 0.407 ' HG3' ' HA3' ' A' ' 676' ' ' GLY . 50.2 Cg_endo -69.6 171.86 13.53 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.671 2.248 . . . . 0.0 112.266 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.53 156.13 67.38 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.559 2.173 . . . . 0.0 112.476 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 16.3 mt -96.83 146.32 25.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.771 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1109 ' ' ILE . . . . . 0.582 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -114.92 122.98 70.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.866 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.47 129.65 34.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 24.6 p -122.93 119.31 30.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -139.84 143.61 36.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.827 0.346 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 58.6 p -169.75 151.69 4.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -176.81 -40.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.99 0.424 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -113.5 121.32 43.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 662' ' ' SER . . . . . 0.448 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -165.17 132.43 2.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.015 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.557 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 6.8 t -69.19 126.25 29.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.495 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.8 m0 -62.74 -23.47 67.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.586 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -100.15 -62.9 1.18 Allowed 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.611 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.523 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 64.2 m -54.53 -61.2 2.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.638 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.98 23.43 9.22 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.428 -0.891 . . . . 0.0 112.436 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -126.15 -63.65 1.09 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.695 0.283 . . . . 0.0 110.825 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 669' ' ' LYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -159.93 152.17 20.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.996 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.557 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.21 143.45 32.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.21 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.76 -4.86 9.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.758 -179.542 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -109.68 156.86 19.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.804 0.335 . . . . 0.0 110.488 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 673' ' ' THR . . . . . 0.582 ' HB ' HG13 ' B' 1109 ' ' ILE . 68.1 m -133.38 139.51 46.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.535 -178.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.657 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 41.0 t -68.12 106.44 2.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.261 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 20.1 p -67.4 -9.39 41.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.233 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 676' ' ' GLY . . . . . 0.407 ' HA3' ' HG3' ' B' 1106 ' ' PRO . . . -79.09 -44.45 9.8 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.455 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 18.0 p -112.79 -14.45 13.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.683 0.277 . . . . 0.0 111.107 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 60.61 23.1 12.88 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.936 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 89.3 m -121.88 -37.05 2.91 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.968 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.92 154.43 39.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.9 -179.312 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -138.3 141.57 39.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.402 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 682' ' ' TYR . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 89.9 m-85 -152.45 148.9 27.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.792 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.438 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.0 p -93.47 -18.22 22.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.524 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.09 150.89 23.01 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.115 -1.041 . . . . 0.0 113.257 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 685' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' A' ' 688' ' ' GLN . 2.3 p -51.78 -23.09 4.19 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.919 0.341 . . . . 0.0 111.919 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -80.95 -35.75 31.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.81 0.338 . . . . 0.0 110.657 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 19.1 m -63.61 -44.74 93.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.395 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 688' ' ' GLN . . . . . 0.457 ' HA ' ' CZ ' ' A' ' 682' ' ' TYR . 0.0 OUTLIER -62.0 -40.25 95.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.82 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 689' ' ' HIS . . . . . 0.445 ' CE1' ' HD2' ' B' 1105 ' ' PRO . 0.4 OUTLIER -69.63 -37.21 76.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.746 0.308 . . . . 0.0 111.205 179.644 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -52.41 65.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.015 0.436 . . . . 0.0 111.338 -179.478 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.11 -9.58 57.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.043 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.449 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 9.5 t-105 -45.42 -44.27 11.96 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.373 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.59 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.8 OUTLIER -52.95 -43.29 66.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.665 0.269 . . . . 0.0 111.467 -179.079 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -87.04 -44.67 11.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.855 0.359 . . . . 0.0 111.305 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.968 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 63.2 t60 -61.21 -40.13 92.8 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -178.542 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.632 ' CE1' HD13 ' B' 1102 ' ' ILE . 2.4 p-80 -54.27 -29.07 45.71 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -178.579 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 697' ' ' HIS . . . . . 0.414 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 24.0 m80 -59.57 -31.33 69.34 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.497 178.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 698' ' ' ILE . . . . . 0.485 HD11 ' HD1' ' A' ' 695' ' ' HIS . 3.2 pt -105.41 -3.75 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -178.56 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.09 102.8 1.06 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.293 0.568 . . . . 0.0 110.94 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 157.61 -14.34 0.29 Allowed Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.371 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -102.34 121.37 42.16 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.862 0.363 . . . . 0.0 110.858 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 73.5 p -60.46 -63.53 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -138.55 138.77 38.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.63 164.57 12.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -129.57 135.54 48.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.099 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.5 -47.67 1.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.945 0.402 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B 1102 ' ' ILE . . . . . 0.53 HD13 ' HA ' ' A' ' 693' ' ' GLU . 19.2 mt -135.66 160.17 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.08 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1103 ' ' SER . . . . . 0.496 ' N ' HG22 ' B' 1102 ' ' ILE . 5.5 m -56.06 170.99 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.028 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -89.47 111.74 47.46 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1105 ' ' PRO . . . . . 0.44 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 41.0 Cg_endo -67.33 151.27 80.85 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.386 2.057 . . . . 0.0 112.352 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.82 169.92 0.33 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.571 2.181 . . . . 0.0 112.212 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.64 158.63 55.27 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.557 2.171 . . . . 0.0 112.483 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 46.5 mt -96.46 146.01 25.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1109 ' ' ILE . . . . . 0.567 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.2 pt -114.47 122.89 69.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.958 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.58 128.02 34.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.858 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 97.5 p -120.69 114.97 22.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -144.89 116.7 8.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.862 0.363 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 3.6 t -125.34 114.53 19.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.74 131.16 2.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 60.31 103.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.964 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 662' ' ' SER . . . . . 0.471 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.3 OUTLIER -167.52 127.76 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.005 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.554 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 6.4 t -68.15 126.04 28.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.054 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.466 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.8 m0 -63.15 -20.83 65.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.509 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -102.03 -62.87 1.21 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.543 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.508 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 93.0 m -55.31 -60.87 2.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.596 -179.191 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 102.31 23.89 8.73 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.447 -0.882 . . . . 0.0 112.43 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.16 -63.91 1.07 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.73 0.3 . . . . 0.0 110.785 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 669' ' ' LYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -159.77 152.86 21.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.049 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.554 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.0 143.24 33.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.115 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.25 -6.18 9.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.673 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -109.65 157.9 18.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.809 0.337 . . . . 0.0 110.458 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 673' ' ' THR . . . . . 0.567 ' HB ' HG13 ' B' 1109 ' ' ILE . 60.3 m -133.9 139.51 46.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.52 -178.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.631 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 43.3 t -66.83 103.96 1.24 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.048 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 58.8 p -64.83 -10.15 26.01 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.271 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -78.42 -44.27 11.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.408 -0.901 . . . . 0.0 112.455 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 19.6 p -113.57 -13.73 12.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.598 0.237 . . . . 0.0 111.303 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.8 m120 59.66 22.87 11.63 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.745 0.307 . . . . 0.0 110.941 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 97.3 m -121.31 -37.08 2.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.812 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.936 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -75.68 154.7 36.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.594 -179.516 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -138.27 141.8 39.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.59 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 682' ' ' TYR . . . . . 0.437 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 91.8 m-85 -152.35 148.52 27.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.698 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.441 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.2 p -93.21 -18.07 22.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.477 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.85 149.93 21.92 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 120.196 -1.002 . . . . 0.0 112.901 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 1.4 p -48.88 -33.84 11.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.661 0.267 . . . . 0.0 111.596 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -70.92 -35.34 72.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.731 0.3 . . . . 0.0 110.642 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 31.0 m -63.31 -44.55 94.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.428 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 688' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -64.52 -38.06 89.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.809 -179.728 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 689' ' ' HIS . . . . . 0.47 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 0.3 OUTLIER -70.4 -37.41 74.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.876 0.369 . . . . 0.0 111.151 179.572 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -52.23 66.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.079 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.93 -10.17 57.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.042 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.443 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 8.8 t-105 -45.7 -43.53 12.82 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.583 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.6 OUTLIER -52.66 -48.0 66.77 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -178.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 694' ' ' LYS . . . . . 0.403 ' N ' ' CG ' ' A' ' 693' ' ' GLU . 0.0 OUTLIER -86.8 -36.22 18.67 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.617 -179.312 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.936 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 71.6 t60 -67.67 -39.22 84.52 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.583 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.6 p-80 -54.67 -28.97 51.19 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -179.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 697' ' ' HIS . . . . . 0.464 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 21.7 m80 -61.73 -31.21 71.36 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.113 178.296 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 698' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 695' ' ' HIS . 0.1 OUTLIER -103.22 -4.33 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -178.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 699' ' ' CYS . . . . . 0.408 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . 1.8 t -71.37 120.47 16.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.009 0.433 . . . . 0.0 111.196 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 127.15 14.51 2.7 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.921 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 701' ' ' GLN . . . . . 0.514 ' CG ' HD12 ' A' ' 703' ' ' LEU . 9.5 tp60 58.43 167.68 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.921 0.391 . . . . 0.0 111.035 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 5.4 t -128.18 30.66 5.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 703' ' ' LEU . . . . . 0.514 HD12 ' CG ' ' A' ' 701' ' ' GLN . 4.1 mt -105.49 150.95 24.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -113.28 133.38 55.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . 60.61 178.83 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.56 110.85 20.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.945 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.941 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.93 0.395 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B 1102 ' ' ILE . . . . . 0.498 HG22 ' N ' ' B' 1103 ' ' SER . 15.5 mt -76.55 160.42 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.982 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1103 ' ' SER . . . . . 0.498 ' N ' HG22 ' B' 1102 ' ' ILE . 0.3 OUTLIER -56.89 154.85 8.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.016 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B 1104 ' ' ASN . . . . . 0.418 ' HA ' ' HD3' ' B' 1105 ' ' PRO . 2.8 m-20 -72.34 128.64 88.53 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.779 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1105 ' ' PRO . . . . . 0.45 ' HG3' ' CD2' ' A' ' 692' ' ' TRP . 6.1 Cg_exo -77.44 175.74 10.92 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.592 2.195 . . . . 0.0 112.066 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1106 ' ' PRO . . . . . 0.411 ' HG3' ' HA3' ' A' ' 676' ' ' GLY . 61.5 Cg_endo -73.43 170.58 19.58 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.483 2.122 . . . . 0.0 112.165 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.37 155.03 64.79 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.513 2.142 . . . . 0.0 112.367 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 15.6 mt -96.11 145.3 25.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1109 ' ' ILE . . . . . 0.581 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -115.35 122.83 70.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 2.6 p -86.75 131.23 34.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.907 0.384 . . . . 0.0 110.99 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 31.1 p -127.78 117.67 22.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -161.47 81.49 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 44.2 mttt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.849 0.357 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 2.3 p -165.59 169.53 15.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 20.0 m -116.35 156.17 27.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -92.85 75.91 4.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 662' ' ' SER . . . . . 0.446 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -165.98 130.57 2.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.988 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.528 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 6.4 t -67.56 125.88 27.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.46 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.4 m0 -62.91 -20.0 64.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.508 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -103.32 -62.67 1.26 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.558 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.528 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 65.5 m -54.9 -61.14 2.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.535 -179.208 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 100.91 23.6 9.76 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.379 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -126.1 -58.94 1.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.779 0.323 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 669' ' ' LYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.1 OUTLIER -165.98 153.13 9.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.094 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.49 ' HB2' ' CA ' ' A' ' 663' ' ' CYS . . . -143.8 144.46 31.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.185 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.6 m -120.9 -4.31 9.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.728 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.71 157.03 19.53 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.814 0.34 . . . . 0.0 110.47 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 673' ' ' THR . . . . . 0.581 ' HB ' HG13 ' B' 1109 ' ' ILE . 99.5 m -132.63 139.51 47.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.452 -178.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.671 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 44.8 t -68.74 107.51 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.286 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 54.0 p -68.29 -9.69 49.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.154 -0.475 . . . . 0.0 112.181 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 676' ' ' GLY . . . . . 0.411 ' HA3' ' HG3' ' B' 1106 ' ' PRO . . . -76.58 -49.57 7.93 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.236 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 24.2 p -109.79 -12.39 14.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.733 0.301 . . . . 0.0 111.074 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.8 m120 60.22 23.36 12.73 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.05 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 96.4 m -122.37 -36.87 2.88 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.985 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.56 154.4 39.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.74 -179.494 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -138.25 142.01 39.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.563 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 682' ' ' TYR . . . . . 0.419 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 91.8 m-85 -152.09 148.9 28.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.337 . . . . 0.0 110.734 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.443 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 21.3 p -92.83 -18.91 22.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.479 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.34 149.33 21.28 Favored Glycine 0 C--N 1.335 0.492 0 C-N-CA 120.229 -0.986 . . . . 0.0 112.826 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 99.6 p -49.45 -34.05 15.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.682 0.277 . . . . 0.0 111.383 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -70.64 -34.85 72.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.672 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 62.9 m -63.62 -41.37 98.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.464 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 688' ' ' GLN . . . . . 0.474 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -63.74 -37.62 88.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.882 -179.746 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 689' ' ' HIS . . . . . 0.474 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 0.6 OUTLIER -70.37 -37.43 74.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.82 0.343 . . . . 0.0 111.419 179.806 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -52.31 65.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.028 0.442 . . . . 0.0 111.152 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.04 -10.66 56.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.148 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.45 ' CD2' ' HG3' ' B' 1105 ' ' PRO . 9.5 t-105 -45.26 -45.4 11.94 Favored 'General case' 0 N--CA 1.461 0.101 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.455 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.521 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.0 OUTLIER -52.83 -42.69 65.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.7 0.286 . . . . 0.0 111.522 -179.157 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.01 -44.64 11.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.509 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.985 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 75.0 t60 -61.46 -41.74 97.7 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -178.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.521 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.4 p-80 -54.55 -29.39 50.85 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -178.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 697' ' ' HIS . . . . . 0.494 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 27.7 m80 -60.81 -30.75 70.26 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 178.262 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.6 mt -92.66 -54.11 7.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.888 -178.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.3 t -37.37 157.33 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 80.79 15.95 76.41 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.867 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 701' ' ' GLN . . . . . 0.503 ' O ' HG23 ' A' ' 702' ' ' THR . 0.3 OUTLIER 66.01 -72.99 0.07 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.755 0.312 . . . . 0.0 111.049 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 702' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 701' ' ' GLN . 17.1 p -159.05 -178.14 7.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 1.6 mp -107.94 167.21 10.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -64.7 175.56 1.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -128.81 31.15 4.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -113.3 143.63 44.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 17.9 p . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.823 0.344 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B 1102 ' ' ILE . . . . . 0.476 HG22 ' N ' ' B' 1103 ' ' SER . 18.2 mt -107.58 160.0 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.186 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1103 ' ' SER . . . . . 0.476 ' N ' HG22 ' B' 1102 ' ' ILE . 20.3 m -57.75 172.09 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.995 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -86.86 115.03 61.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.824 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1105 ' ' PRO . . . . . 0.483 ' HB3' ' CD2' ' A' ' 692' ' ' TRP . 37.1 Cg_endo -66.96 160.8 45.4 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.419 2.08 . . . . 0.0 112.548 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1106 ' ' PRO . . . . . 0.427 ' HG2' ' HA3' ' A' ' 676' ' ' GLY . 52.9 Cg_exo -54.96 163.33 4.28 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.618 2.212 . . . . 0.0 111.864 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.68 164.72 34.79 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.426 2.084 . . . . 0.0 112.543 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 12.9 mt -100.18 148.44 24.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.04 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1109 ' ' ILE . . . . . 0.564 HG13 ' HB ' ' A' ' 673' ' ' THR . 0.8 OUTLIER -116.0 123.2 71.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.75 179.697 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.43 130.6 35.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.005 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 77.9 p -123.98 114.1 19.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -162.75 106.34 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 25.5 mttt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.797 0.332 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 8.5 t -123.91 158.98 30.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 1.7 t -76.73 -179.96 5.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.989 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -109.55 97.57 7.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 662' ' ' SER . . . . . 0.466 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -165.61 131.57 2.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.967 179.916 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.531 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 8.4 t -67.39 126.75 30.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.487 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.8 m0 -63.78 -20.02 65.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.669 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -102.67 -63.82 1.13 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.443 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.49 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 89.5 m -54.88 -60.52 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.585 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 100.98 23.98 9.41 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.398 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 17.6 mtp85 -125.49 -61.36 1.27 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.828 0.347 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 669' ' ' LYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -163.49 152.46 14.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.037 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.531 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.44 143.62 32.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.177 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 11.5 m -119.89 -4.94 10.12 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.651 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -109.66 157.0 19.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.788 0.328 . . . . 0.0 110.392 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 673' ' ' THR . . . . . 0.564 ' HB ' HG13 ' B' 1109 ' ' ILE . 48.7 m -132.91 139.6 47.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.493 -178.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.63 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 44.4 t -67.81 105.54 1.98 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.185 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 45.8 p -66.64 -9.46 36.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.193 -179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 676' ' ' GLY . . . . . 0.427 ' HA3' ' HG2' ' B' 1106 ' ' PRO . . . -77.39 -47.84 8.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.379 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 26.1 p -111.05 -13.04 14.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.718 0.294 . . . . 0.0 111.055 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 43.6 t30 60.19 24.42 13.76 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.116 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 63.9 m -122.8 -37.52 2.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.936 -179.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.904 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.66 156.06 38.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.789 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -138.23 141.84 39.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.451 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 682' ' ' TYR . . . . . 0.42 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 90.2 m-85 -152.22 146.84 25.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.637 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.447 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 19.5 p -92.35 -19.79 21.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.249 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.06 150.39 22.43 Favored Glycine 0 C--N 1.334 0.472 0 C-N-CA 120.166 -1.016 . . . . 0.0 112.894 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 685' ' ' SER . . . . . 0.43 ' O ' ' HG2' ' A' ' 688' ' ' GLN . 53.8 p -47.63 -37.59 12.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.672 0.272 . . . . 0.0 111.56 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -66.05 -35.08 79.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.805 0.336 . . . . 0.0 110.531 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 14.3 m -64.59 -45.48 86.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.234 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 688' ' ' GLN . . . . . 0.552 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 1.2 pt20 -61.88 -41.75 98.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.603 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 689' ' ' HIS . . . . . 0.552 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 18.7 m170 -70.61 -37.2 73.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.371 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -52.36 65.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.976 0.417 . . . . 0.0 111.517 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.75 -7.86 59.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.892 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.483 ' CD2' ' HB3' ' B' 1105 ' ' PRO . 6.2 t-105 -44.88 -45.01 10.05 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.505 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.541 ' HG2' ' HG2' ' A' ' 694' ' ' LYS . 0.0 OUTLIER -53.99 -38.39 65.02 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.593 0.235 . . . . 0.0 111.137 -179.561 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 694' ' ' LYS . . . . . 0.541 ' HG2' ' HG2' ' A' ' 693' ' ' GLU . 8.6 mmpt? -87.28 -49.39 7.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.971 0.415 . . . . 0.0 111.142 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.904 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 40.2 t60 -57.35 -43.74 83.74 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.388 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.476 ' HB3' ' CE3' ' A' ' 692' ' ' TRP . 2.2 p-80 -54.61 -29.02 50.67 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 697' ' ' HIS . . . . . 0.44 ' CD2' ' HA ' ' A' ' 694' ' ' LYS . 67.0 m-70 -60.18 -27.06 66.83 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.299 178.55 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 698' ' ' ILE . . . . . 0.525 HD12 ' HA ' ' A' ' 695' ' ' HIS . 0.1 OUTLIER -105.22 -49.21 9.17 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.957 -178.761 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 10.9 t -37.86 136.78 0.54 Allowed 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 89.91 -25.0 12.72 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.886 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -137.85 89.59 2.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 0.0 110.962 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.42 104.54 5.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.73 -69.46 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -80.77 169.57 17.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -107.85 174.23 5.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -160.45 32.22 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 17.0 tm0? . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.887 179.921 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.723 0.297 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1102 ' ' ILE . . . . . 0.57 HD13 ' CE1' ' A' ' 696' ' ' HIS . 21.0 mt -145.81 160.36 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.023 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1103 ' ' SER . . . . . 0.48 ' N ' HG22 ' B' 1102 ' ' ILE . 2.2 t -54.52 -177.43 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -102.15 116.44 63.11 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1105 ' ' PRO . . . . . 0.433 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 45.1 Cg_endo -68.49 157.27 62.52 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.482 2.121 . . . . 0.0 112.402 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1106 ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' 1105 ' ' PRO . 49.5 Cg_exo -55.93 172.63 0.53 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.628 2.219 . . . . 0.0 112.19 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.49 160.84 45.79 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.663 2.242 . . . . 0.0 112.541 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1108 ' ' LEU . . . . . 0.714 HD11 ' HG2' ' A' ' 688' ' ' GLN . 56.7 mt -96.98 146.66 24.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1109 ' ' ILE . . . . . 0.577 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -115.69 123.02 70.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.052 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 81.0 p -84.23 128.56 34.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.845 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 82.6 p -120.58 118.83 31.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -168.99 104.61 0.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 1.5 mtmt . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.8 m -135.97 -57.13 0.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.4 135.18 5.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -85.31 94.37 8.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 662' ' ' SER . . . . . 0.467 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -168.99 132.44 1.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.053 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.577 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 5.0 t -67.21 125.77 27.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.083 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.481 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.3 m0 -62.87 -22.22 66.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.608 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 665' ' ' ASN . . . . . 0.401 ' OD1' ' HE2' ' A' ' 690' ' ' LYS . 3.3 t30 -101.8 -62.14 1.3 Allowed 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.518 -179.576 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.557 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 57.5 m -54.38 -61.45 2.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.529 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.17 24.34 8.02 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.348 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -128.56 -65.81 0.87 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.838 0.351 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 669' ' ' LYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -157.12 151.83 25.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.046 0.451 . . . . 0.0 111.22 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.577 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -141.99 143.69 33.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.019 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.59 -5.9 10.23 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -179.3 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -109.69 158.48 18.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.962 0.41 . . . . 0.0 110.513 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 673' ' ' THR . . . . . 0.577 ' HB ' HG13 ' B' 1109 ' ' ILE . 79.3 m -132.39 139.34 48.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.495 -178.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.675 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 39.0 t -67.97 106.02 2.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.208 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 59.8 p -66.57 -10.29 43.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.139 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -75.62 -49.49 9.01 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.267 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 27.8 p -111.31 -11.52 14.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.63 0.252 . . . . 0.0 111.28 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 12.2 m120 60.35 24.6 14.09 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.078 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 96.2 m -122.84 -37.35 2.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.33 -0.395 . . . . 0.0 112.04 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.9 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -74.13 154.69 39.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.789 -179.364 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -138.23 141.42 39.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.615 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 682' ' ' TYR . . . . . 0.464 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 92.9 m-85 -152.74 148.36 27.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.571 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.414 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.2 p -91.64 -18.49 23.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.289 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -152.12 152.23 23.98 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.934 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 685' ' ' SER . . . . . 0.442 ' O ' ' HG3' ' A' ' 688' ' ' GLN . 4.5 t -52.3 -22.84 4.9 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.641 0.258 . . . . 0.0 111.608 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -75.29 -41.15 57.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.045 0.45 . . . . 0.0 110.205 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 687' ' ' CYS . . . . . 0.4 ' HA ' ' ND2' ' A' ' 665' ' ' ASN . 18.3 m -63.56 -45.34 90.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.618 -179.397 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 688' ' ' GLN . . . . . 0.714 ' HG2' HD11 ' B' 1108 ' ' LEU . 1.2 pp0? -61.7 -43.69 98.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.716 0.293 . . . . 0.0 110.544 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 689' ' ' HIS . . . . . 0.417 ' HA ' ' HB2' ' A' ' 692' ' ' TRP . 0.2 OUTLIER -68.57 -37.02 79.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.137 179.449 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 690' ' ' LYS . . . . . 0.405 ' HB3' ' HE2' ' A' ' 690' ' ' LYS . 0.0 OUTLIER -57.47 -52.34 65.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.239 -179.77 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.88 -9.7 57.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.02 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.446 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 11.8 t-105 -45.45 -43.97 11.86 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.532 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.522 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.0 OUTLIER -52.91 -41.45 64.43 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.703 0.287 . . . . 0.0 111.313 -179.318 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 694' ' ' LYS . . . . . 0.46 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 36.6 mtmt -86.97 -47.79 8.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 0.0 111.229 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.9 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 49.8 t60 -57.46 -43.75 84.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.327 -178.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.57 ' CE1' HD13 ' B' 1102 ' ' ILE . 2.3 p-80 -54.52 -29.14 49.73 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.033 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 697' ' ' HIS . . . . . 0.46 ' CD2' ' HA ' ' A' ' 694' ' ' LYS . 58.6 m-70 -60.32 -27.57 67.43 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.092 178.423 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 698' ' ' ILE . . . . . 0.567 HD12 ' HA ' ' A' ' 695' ' ' HIS . 0.1 OUTLIER -101.1 -51.17 9.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.773 -178.833 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 8.4 t -37.25 155.77 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.246 -179.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 84.64 32.43 21.85 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.526 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -168.24 129.78 1.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.793 0.33 . . . . 0.0 110.853 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 25.6 p -59.98 159.13 9.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 703' ' ' LEU . . . . . 0.437 HD22 ' O ' ' A' ' 705' ' ' ALA . 0.3 OUTLIER -151.35 121.82 7.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -99.4 35.7 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 705' ' ' ALA . . . . . 0.437 ' O ' HD22 ' A' ' 703' ' ' LEU . . . -165.92 151.36 8.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -169.52 -45.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.133 -0.937 . . . . 0.0 110.879 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.854 0.359 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B 1102 ' ' ILE . . . . . 0.488 HG22 ' N ' ' B' 1103 ' ' SER . 24.1 mt -79.89 160.31 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.058 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1103 ' ' SER . . . . . 0.488 ' N ' HG22 ' B' 1102 ' ' ILE . 1.8 t -55.52 166.75 0.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -85.65 120.69 73.15 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1105 ' ' PRO . . . . . 0.428 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 53.7 Cg_endo -69.29 171.07 14.59 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.421 2.081 . . . . 0.0 112.388 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.16 171.14 15.46 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.618 2.212 . . . . 0.0 112.328 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.42 156.87 60.7 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.598 2.199 . . . . 0.0 112.459 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 15.8 mt -95.78 145.46 25.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1109 ' ' ILE . . . . . 0.587 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -114.87 122.93 69.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.949 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.71 129.75 35.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 87.3 p -130.39 111.33 12.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -153.44 102.73 2.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 44.2 mttt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 12.1 t70 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.855 0.359 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.51 99.72 3.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.68 -39.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -119.0 95.04 4.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.949 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 662' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 2.2 t 179.22 143.38 0.13 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.598 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 7.1 t -70.34 126.49 29.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.095 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.478 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.1 m0 -63.52 -24.6 67.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.538 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -97.27 -62.58 1.23 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.376 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.53 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 99.4 m -56.17 -59.73 4.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.538 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.84 30.03 5.95 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.409 -0.901 . . . . 0.0 112.386 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -135.47 -71.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.776 0.322 . . . . 0.0 111.127 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 669' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 1.6 mmtp -148.34 146.6 28.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.009 0.433 . . . . 0.0 111.461 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.598 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -139.6 142.45 37.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.944 179.538 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.25 -5.31 9.93 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.861 -179.426 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -109.69 156.93 19.63 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.815 0.34 . . . . 0.0 110.42 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 673' ' ' THR . . . . . 0.587 ' HB ' HG13 ' B' 1109 ' ' ILE . 66.9 m -132.55 139.48 47.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.562 -178.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.648 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 44.1 t -68.13 107.16 2.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.323 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 33.5 p -67.31 -9.31 39.72 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.134 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -77.79 -46.36 9.69 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.36 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 20.0 p -112.39 -13.41 13.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.59 0.233 . . . . 0.0 111.178 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 61.9 t30 60.08 24.15 13.38 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.794 0.33 . . . . 0.0 110.822 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 75.6 m -122.5 -37.4 2.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.969 -179.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.949 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.41 155.43 39.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.796 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -138.28 141.84 39.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.466 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 682' ' ' TYR . . . . . 0.434 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 90.0 m-85 -152.28 147.48 26.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.695 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.449 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 19.6 p -92.73 -18.75 22.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.432 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.67 149.48 21.42 Favored Glycine 0 C--N 1.335 0.48 0 C-N-CA 120.201 -1.0 . . . . 0.0 112.867 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 2.3 p -48.67 -35.43 13.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.69 0.281 . . . . 0.0 111.413 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -69.68 -34.47 73.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.73 0.3 . . . . 0.0 110.606 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 59.2 m -63.96 -42.24 97.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.451 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 688' ' ' GLN . . . . . 0.477 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -65.35 -37.81 88.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.957 -179.796 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 689' ' ' HIS . . . . . 0.477 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 0.4 OUTLIER -70.42 -37.29 74.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.747 0.308 . . . . 0.0 111.427 179.836 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -52.57 64.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.17 0.51 . . . . 0.0 111.217 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.05 -9.87 57.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.054 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.445 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 10.2 t-105 -44.99 -44.74 10.13 Favored 'General case' 0 N--CA 1.461 0.095 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.53 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.3 OUTLIER -52.76 -41.52 64.14 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.728 0.299 . . . . 0.0 111.313 -179.363 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 694' ' ' LYS . . . . . 0.474 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 9.1 mtmt -87.18 -47.74 8.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.298 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.949 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 63.2 t60 -57.41 -43.72 83.99 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -178.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.53 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.2 p-80 -54.59 -28.98 50.06 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.033 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 697' ' ' HIS . . . . . 0.474 ' CD2' ' HA ' ' A' ' 694' ' ' LYS . 56.4 m-70 -59.45 -27.0 65.69 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.082 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 698' ' ' ILE . . . . . 0.517 HD12 ' HA ' ' A' ' 695' ' ' HIS . 0.1 OUTLIER -103.28 -48.54 10.48 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.669 -179.122 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.7 t -34.33 137.35 0.12 Allowed 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -73.18 -4.66 64.11 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.892 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 66.25 -75.41 0.05 Allowed 'General case' 0 C--O 1.231 0.117 0 CA-C-O 120.757 0.313 . . . . 0.0 111.033 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.07 -68.34 0.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.025 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 9.9 tp -132.47 158.87 40.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.976 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.82 87.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -156.39 133.73 10.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.142 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -92.96 140.68 29.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.318 -0.849 . . . . 0.0 110.949 -179.955 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.871 0.367 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1102 ' ' ILE . . . . . 0.484 HG22 ' N ' ' B' 1103 ' ' SER . 6.8 mt -107.91 159.88 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1103 ' ' SER . . . . . 0.484 ' N ' HG22 ' B' 1102 ' ' ILE . 73.4 m -55.15 179.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1104 ' ' ASN . . . . . 0.402 ' HA ' ' HD2' ' B' 1105 ' ' PRO . 3.4 m-20 -90.77 107.39 20.19 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1105 ' ' PRO . . . . . 0.524 ' HB3' ' CD2' ' A' ' 692' ' ' TRP . 31.6 Cg_endo -65.85 166.7 19.6 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.383 2.055 . . . . 0.0 112.672 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1106 ' ' PRO . . . . . 0.435 ' HG2' ' HA3' ' A' ' 676' ' ' GLY . 16.4 Cg_exo -67.41 159.22 53.39 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.843 2.362 . . . . 0.0 111.773 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.85 163.09 39.62 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.373 2.048 . . . . 0.0 112.262 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 13.1 mt -99.33 147.13 25.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1109 ' ' ILE . . . . . 0.567 HG13 ' HB ' ' A' ' 673' ' ' THR . 0.7 OUTLIER -116.52 123.24 71.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.815 179.72 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 1.1 p -84.04 127.77 34.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.928 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 43.8 p -122.62 113.29 19.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -155.87 104.02 2.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 5.8 mmtp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.932 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 1.6 t70 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.823 0.344 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 36.2 t -147.84 -173.55 4.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.803 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.88 -39.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -80.63 76.82 7.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 662' ' ' SER . . . . . 0.489 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 1.2 p -171.41 131.36 0.74 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.975 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.538 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 6.0 t -68.55 126.34 29.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.068 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.462 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.8 m0 -63.93 -22.15 66.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.56 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 665' ' ' ASN . . . . . 0.402 ' OD1' ' HE2' ' A' ' 690' ' ' LYS . 1.9 t30 -100.32 -63.49 1.13 Allowed 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.342 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.516 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 65.8 m -54.72 -61.27 2.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.59 -179.314 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 102.47 23.9 8.63 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.371 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 -126.69 -63.13 1.09 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.72 0.295 . . . . 0.0 110.842 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 669' ' ' LYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -161.02 152.47 19.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.062 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.538 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.23 144.14 33.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.193 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -119.49 -5.71 10.29 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.818 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -109.68 158.58 17.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.851 0.357 . . . . 0.0 110.452 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 673' ' ' THR . . . . . 0.567 ' HB ' HG13 ' B' 1109 ' ' ILE . 50.4 m -133.52 139.63 46.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.627 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.627 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 41.1 t -67.43 105.46 1.81 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.139 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 90.8 p -67.24 -9.61 42.31 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -179.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 676' ' ' GLY . . . . . 0.435 ' HA3' ' HG2' ' B' 1106 ' ' PRO . . . -78.78 -46.11 8.8 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.383 -0.913 . . . . 0.0 112.374 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 21.2 p -110.83 -14.22 14.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.743 0.306 . . . . 0.0 111.005 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.8 m120 60.65 23.16 12.98 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.154 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 95.9 m -122.46 -37.01 2.84 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.963 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -74.51 155.35 38.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.837 -179.472 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -138.31 141.75 39.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.528 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 682' ' ' TYR . . . . . 0.41 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 94.4 m-85 -152.37 147.8 26.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.668 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.441 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.6 p -91.88 -19.29 22.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.184 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -151.29 151.23 23.23 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.413 -0.899 . . . . 0.0 112.752 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 685' ' ' SER . . . . . 0.416 ' O ' ' HG2' ' A' ' 688' ' ' GLN . 0.3 OUTLIER -49.41 -33.67 14.47 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.817 0.341 . . . . 0.0 111.23 -179.85 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -65.26 -40.79 94.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.934 0.397 . . . . 0.0 110.314 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 19.3 m -63.22 -44.52 95.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.508 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 688' ' ' GLN . . . . . 0.556 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 1.1 pt20 -61.79 -42.04 98.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.756 0.312 . . . . 0.0 110.534 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 689' ' ' HIS . . . . . 0.556 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 1.2 m-70 -70.51 -37.3 74.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.374 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 690' ' ' LYS . . . . . 0.402 ' HE2' ' OD1' ' A' ' 665' ' ' ASN . 0.0 OUTLIER -57.29 -52.29 65.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.384 -179.499 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.7 -8.27 58.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.957 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.524 ' CD2' ' HB3' ' B' 1105 ' ' PRO . 6.7 t-105 -45.87 -44.95 14.82 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.765 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.561 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.5 OUTLIER -52.96 -41.33 64.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.761 0.315 . . . . 0.0 111.258 -179.448 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -87.21 -47.75 8.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.265 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.963 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 74.7 t60 -59.08 -40.93 86.77 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -178.533 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.561 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.4 p-80 -54.71 -29.36 53.01 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -178.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 697' ' ' HIS . . . . . 0.531 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 24.2 m80 -61.42 -32.27 72.22 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 120.452 -0.499 . . . . 0.0 109.77 178.293 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 698' ' ' ILE . . . . . 0.424 HG22 HD21 ' A' ' 703' ' ' LEU . 2.6 mt -91.67 -54.78 6.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.001 -178.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.9 t -35.18 153.04 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 70.14 30.5 69.67 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.611 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -156.29 154.31 30.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 0.0 110.787 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 11.6 p -88.48 122.98 32.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 703' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 703' ' ' LEU . 3.8 mm? -108.85 31.2 5.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.28 141.37 35.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -170.51 105.83 0.29 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -59.84 112.11 1.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.911 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 10.5 m . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.82 0.343 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B 1102 ' ' ILE . . . . . 0.493 HG22 ' N ' ' B' 1103 ' ' SER . 3.3 mt -110.1 160.09 9.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1103 ' ' SER . . . . . 0.493 ' N ' HG22 ' B' 1102 ' ' ILE . 32.6 t -59.48 -169.68 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -101.9 113.48 65.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1105 ' ' PRO . . . . . 0.425 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 40.6 Cg_endo -67.21 152.07 80.14 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.304 2.003 . . . . 0.0 112.226 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.95 171.0 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.527 2.151 . . . . 0.0 112.282 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.48 159.68 50.69 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.587 2.192 . . . . 0.0 112.533 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 88.4 mt -96.4 146.13 25.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1109 ' ' ILE . . . . . 0.576 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -115.71 122.9 70.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.999 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.82 130.45 34.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.95 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 84.6 p -123.74 111.49 16.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -157.45 77.0 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.015 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.79 0.329 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.8 m -60.89 116.42 4.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 9.3 m -79.86 121.32 25.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 60.73 94.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 662' ' ' SER . . . . . 0.459 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.3 OUTLIER -172.61 131.88 0.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.002 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.553 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 5.4 t -69.31 125.91 28.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.446 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.9 m0 -63.74 -20.92 66.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.49 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -102.17 -62.95 1.2 Allowed 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.44 -179.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.533 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 59.4 m -54.23 -61.88 2.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.527 -179.343 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.34 22.29 9.26 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.374 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -125.55 -64.93 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.748 0.309 . . . . 0.0 110.769 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 669' ' ' LYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -158.65 152.65 23.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.077 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.553 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -141.48 143.09 33.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.103 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.02 -6.11 10.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.782 -179.464 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -109.69 157.09 19.45 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.868 0.366 . . . . 0.0 110.378 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 673' ' ' THR . . . . . 0.576 ' HB ' HG13 ' B' 1109 ' ' ILE . 78.4 m -131.51 139.39 49.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.574 -178.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.619 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 38.7 t -68.43 106.65 2.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.234 179.564 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 24.9 p -67.05 -9.96 44.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.112 -179.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -76.45 -48.95 8.6 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.27 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 21.5 p -110.68 -12.34 14.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.588 0.233 . . . . 0.0 111.15 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.6 m120 59.84 23.32 12.3 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.014 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 97.2 m -122.35 -37.08 2.85 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.977 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.96 155.02 39.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.641 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -138.28 141.79 39.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.694 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 682' ' ' TYR . . . . . 0.447 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 91.7 m-85 -152.51 148.53 27.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.749 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.426 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 22.4 p -92.79 -18.22 23.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.312 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -151.54 150.87 22.86 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.396 -0.906 . . . . 0.0 112.75 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 685' ' ' SER . . . . . 0.404 ' O ' ' HG3' ' A' ' 688' ' ' GLN . 2.5 p -49.03 -33.82 12.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.84 0.352 . . . . 0.0 111.379 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -66.42 -40.42 89.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.921 0.391 . . . . 0.0 110.522 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 19.8 m -62.86 -45.66 91.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.767 -179.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 688' ' ' GLN . . . . . 0.5 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -62.78 -39.28 93.73 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.726 -179.815 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 689' ' ' HIS . . . . . 0.5 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 0.4 OUTLIER -70.44 -37.52 74.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.874 0.369 . . . . 0.0 111.068 179.502 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -52.15 66.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.132 0.491 . . . . 0.0 111.03 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 691' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 694' ' ' LYS . 0.7 OUTLIER -84.82 -10.35 57.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.983 179.713 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.442 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 8.8 t-105 -45.86 -43.55 13.66 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.649 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.579 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.4 OUTLIER -52.78 -47.97 67.15 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -178.91 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 694' ' ' LYS . . . . . 0.407 ' HD3' ' HA ' ' A' ' 691' ' ' ASP . 0.0 OUTLIER -86.74 -35.95 18.92 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.669 -179.319 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.977 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 78.6 t60 -67.44 -40.39 85.45 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -179.049 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.579 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.5 p-80 -54.72 -29.28 53.0 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -178.76 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 697' ' ' HIS . . . . . 0.485 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 21.5 m80 -61.23 -32.14 71.93 Favored 'General case' 0 C--O 1.231 0.121 0 C-N-CA 120.367 -0.533 . . . . 0.0 109.613 178.142 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.9 mt -88.93 -55.83 5.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.633 -179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.6 t -35.99 154.64 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.476 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 66.76 19.97 69.87 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.686 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 55.91 30.31 15.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.799 0.333 . . . . 0.0 110.99 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 9.9 m -70.89 -35.1 72.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 14.4 mt -142.46 139.47 31.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.09 -33.8 6.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -69.29 169.75 11.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.116 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -128.35 30.18 5.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.297 -0.859 . . . . 0.0 110.881 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.782 0.325 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B 1102 ' ' ILE . . . . . 0.491 HG22 ' N ' ' B' 1103 ' ' SER . 16.4 mt -81.39 160.03 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1103 ' ' SER . . . . . 0.491 ' N ' HG22 ' B' 1102 ' ' ILE . 0.2 OUTLIER -59.11 169.46 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.815 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 8.9 p30 -83.71 126.52 70.68 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1105 ' ' PRO . . . . . 0.441 ' HG3' ' CE2' ' A' ' 692' ' ' TRP . 5.6 Cg_exo -75.95 173.68 14.09 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.494 2.129 . . . . 0.0 112.115 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -73.6 170.71 19.33 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.548 2.166 . . . . 0.0 112.224 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.32 154.98 65.06 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.544 2.163 . . . . 0.0 112.307 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 12.2 mt -96.22 145.57 25.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1109 ' ' ILE . . . . . 0.577 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -115.53 122.93 70.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.802 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.16 131.19 35.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.842 0.353 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 13.4 p -130.97 110.12 11.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.959 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -166.43 96.66 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.076 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 5.2 t70 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.879 0.371 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.63 99.86 7.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 13.8 m -86.42 173.4 9.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.737 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -140.63 96.68 3.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 662' ' ' SER . . . . . 0.444 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -174.9 133.36 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.999 179.874 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.545 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 6.9 t -67.22 126.3 28.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.968 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.474 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.7 m0 -63.41 -21.36 66.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.577 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -101.62 -62.8 1.21 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.418 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.53 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 65.0 m -55.1 -60.99 2.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.592 -179.315 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.82 23.57 9.22 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.446 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -126.28 -64.07 1.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.82 0.343 . . . . 0.0 110.773 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 669' ' ' LYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -159.76 152.25 21.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.116 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.545 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.5 143.46 32.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.176 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 30.8 m -120.49 -4.82 9.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.672 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -109.66 155.99 20.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.879 0.371 . . . . 0.0 110.417 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 673' ' ' THR . . . . . 0.577 ' HB ' HG13 ' B' 1109 ' ' ILE . 56.3 m -131.44 139.36 49.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.478 -178.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.642 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 39.6 t -68.93 107.02 2.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.322 179.462 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 54.7 p -67.38 -9.61 43.13 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.123 -0.49 . . . . 0.0 112.139 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -76.37 -49.25 8.42 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.437 -0.887 . . . . 0.0 112.361 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 26.3 p -110.44 -12.22 14.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.665 0.269 . . . . 0.0 111.127 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 4.2 m120 60.16 23.94 13.26 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 120.781 0.324 . . . . 0.0 111.133 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 98.6 m -122.59 -37.11 2.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.93 0.395 . . . . 0.0 112.022 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.964 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.47 155.33 39.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.885 -179.256 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 41.5 mmm-85 -138.31 141.81 39.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.508 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 682' ' ' TYR . . . . . 0.418 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 91.2 m-85 -152.08 148.16 27.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.608 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.443 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.8 p -92.97 -19.14 21.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.409 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.13 149.12 21.06 Favored Glycine 0 C--N 1.333 0.39 0 C-N-CA 120.139 -1.029 . . . . 0.0 112.813 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 20.0 p -49.07 -34.22 13.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.662 0.267 . . . . 0.0 111.362 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -70.23 -35.48 73.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.54 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 58.7 m -62.88 -42.17 99.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.44 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 688' ' ' GLN . . . . . 0.481 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -63.37 -37.63 88.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.931 -179.746 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 689' ' ' HIS . . . . . 0.481 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 0.6 OUTLIER -70.46 -37.54 74.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.866 0.365 . . . . 0.0 111.561 179.737 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -52.26 66.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.061 0.458 . . . . 0.0 111.295 -179.427 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.09 -10.67 56.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.083 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.441 ' CE2' ' HG3' ' B' 1105 ' ' PRO . 8.5 t-105 -44.2 -46.46 8.92 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.632 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.521 ' HG2' ' HG2' ' A' ' 694' ' ' LYS . 0.1 OUTLIER -53.94 -37.82 64.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.643 0.259 . . . . 0.0 110.984 -179.696 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 694' ' ' LYS . . . . . 0.521 ' HG2' ' HG2' ' A' ' 693' ' ' GLU . 0.2 OUTLIER -87.25 -50.6 6.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.016 0.436 . . . . 0.0 111.163 179.551 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.964 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 65.0 t60 -57.59 -43.14 84.41 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -178.343 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.45 ' C ' ' CD2' ' A' ' 696' ' ' HIS . 2.2 p-80 -54.38 -29.23 47.91 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.689 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 697' ' ' HIS . . . . . 0.425 ' CD2' ' HA ' ' A' ' 694' ' ' LYS . 72.9 m-70 -60.99 -30.41 70.26 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 178.222 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.5 mt -94.79 -53.93 7.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.906 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 6.0 t -35.98 154.44 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 71.03 33.48 65.32 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.603 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -112.38 169.51 8.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.873 0.368 . . . . 0.0 110.848 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 7.0 m -137.13 96.35 3.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 5.0 tp -113.64 31.38 6.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.774 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -152.32 84.94 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -114.32 149.36 36.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -162.27 97.38 1.01 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.892 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B 1101 ' ' THR . . . . . 0.766 HG23 HG13 ' B' 1102 ' ' ILE . 13.8 t . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 120.814 0.34 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1102 ' ' ILE . . . . . 0.766 HG13 HG23 ' B' 1101 ' ' THR . 28.9 mt -104.16 160.39 4.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.026 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1103 ' ' SER . . . . . 0.501 ' N ' HG22 ' B' 1102 ' ' ILE . 69.4 m -56.94 -179.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.018 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 13.0 m120 -97.96 111.09 58.3 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1105 ' ' PRO . . . . . 0.447 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 39.3 Cg_endo -67.14 148.35 80.79 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.401 2.067 . . . . 0.0 112.372 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1106 ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' 1105 ' ' PRO . 51.1 Cg_exo -54.15 170.69 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.569 2.179 . . . . 0.0 112.159 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.54 160.35 49.78 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.553 2.169 . . . . 0.0 112.471 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1108 ' ' LEU . . . . . 0.489 HD11 ' HG2' ' A' ' 688' ' ' GLN . 17.6 mt -97.15 146.43 25.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1109 ' ' ILE . . . . . 0.575 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.2 pt -114.46 122.91 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.833 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.15 127.62 34.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.932 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 75.4 p -121.72 123.14 41.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -163.54 60.34 0.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.069 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 27.0 mtpt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 14.3 t70 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.841 0.353 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 9.0 p -135.36 177.98 7.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.02 -30.34 67.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -100.91 92.79 5.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 662' ' ' SER . . . . . 0.449 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -175.33 133.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.968 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.566 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 7.8 t -69.74 126.48 29.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.111 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.486 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.3 m0 -63.03 -23.5 67.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.62 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 665' ' ' ASN . . . . . 0.403 ' OD1' ' HE2' ' A' ' 690' ' ' LYS . 4.1 t30 -99.78 -62.87 1.18 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.537 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.518 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.5 m -54.91 -60.48 3.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.545 -179.217 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.54 23.87 9.18 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.459 -0.877 . . . . 0.0 112.446 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.8 -65.14 0.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.807 0.336 . . . . 0.0 110.824 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 669' ' ' LYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -158.04 151.51 23.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.566 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.01 143.36 33.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.236 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.4 p -120.62 -5.39 9.74 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.733 -179.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -109.67 157.35 19.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.909 0.385 . . . . 0.0 110.344 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 673' ' ' THR . . . . . 0.575 ' HB ' HG13 ' B' 1109 ' ' ILE . 71.1 m -134.37 139.55 45.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.583 -178.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.604 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 44.1 t -66.41 103.79 1.1 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.113 179.393 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 82.9 p -65.04 -10.1 27.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.154 -0.475 . . . . 0.0 112.156 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -78.49 -43.6 12.21 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.437 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 23.2 p -114.12 -14.07 12.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.701 0.286 . . . . 0.0 111.372 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.7 m120 60.14 23.69 12.99 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.091 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 78.6 m -121.96 -37.64 2.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.911 0.386 . . . . 0.0 111.984 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.92 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -75.04 155.11 37.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.74 -179.448 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -138.15 141.75 40.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.537 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 682' ' ' TYR . . . . . 0.46 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 89.6 m-85 -152.49 148.65 27.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.659 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.444 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.0 p -93.51 -18.94 21.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.392 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.57 150.38 22.46 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.164 -1.017 . . . . 0.0 113.144 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 685' ' ' SER . . . . . 0.411 ' O ' ' HG3' ' A' ' 688' ' ' GLN . 4.6 p -51.12 -23.84 3.54 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -179.577 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -79.52 -35.66 39.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.358 . . . . 0.0 110.54 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 16.6 m -64.19 -45.58 87.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.228 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 688' ' ' GLN . . . . . 0.489 ' HG2' HD11 ' B' 1108 ' ' LEU . 1.4 pp0? -61.71 -42.49 99.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.767 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 689' ' ' HIS . . . . . 0.421 ' HA ' ' HB2' ' A' ' 692' ' ' TRP . 0.1 OUTLIER -68.84 -36.94 78.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.288 179.69 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 690' ' ' LYS . . . . . 0.403 ' HE2' ' OD1' ' A' ' 665' ' ' ASN . 0.0 OUTLIER -57.29 -52.37 65.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.012 0.434 . . . . 0.0 111.252 -179.625 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.98 -9.83 57.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.112 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.447 ' CE2' ' HB3' ' B' 1105 ' ' PRO . 10.5 t-105 -45.59 -44.19 12.77 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.385 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.551 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.7 OUTLIER -52.9 -41.67 64.6 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.733 0.301 . . . . 0.0 111.343 -179.342 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -87.13 -47.68 8.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.932 0.396 . . . . 0.0 111.283 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.92 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 55.2 t60 -57.4 -42.84 83.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.392 -178.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.551 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.3 p-80 -54.71 -28.83 50.77 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -178.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 697' ' ' HIS . . . . . 0.401 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 31.4 m170 -61.29 -24.87 66.72 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.46 178.378 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 698' ' ' ILE . . . . . 0.4 ' CD1' ' HA ' ' A' ' 695' ' ' HIS . 0.1 OUTLIER -113.32 -6.02 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -178.577 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 699' ' ' CYS . . . . . 0.413 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . 2.5 t -69.1 133.6 48.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.84 0.352 . . . . 0.0 111.057 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 101.7 -13.06 58.02 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.72 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 63.36 152.45 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.896 0.379 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 702' ' ' THR . . . . . 0.922 HG23 HD12 ' A' ' 703' ' ' LEU . 5.2 t -62.51 -37.32 85.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 703' ' ' LEU . . . . . 0.922 HD12 HG23 ' A' ' 702' ' ' THR . 4.6 mp -90.63 150.61 21.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -99.12 133.5 43.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -110.29 128.31 55.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.34 136.65 38.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.855 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.841 0.353 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B 1102 ' ' ILE . . . . . 0.475 HG22 ' N ' ' B' 1103 ' ' SER . 19.1 mt -91.66 159.58 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.058 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B 1103 ' ' SER . . . . . 0.475 ' N ' HG22 ' B' 1102 ' ' ILE . 21.6 t -65.79 176.8 1.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -92.87 117.35 67.52 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.82 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B 1105 ' ' PRO . . . . . 0.434 ' HB3' ' CD2' ' A' ' 692' ' ' TRP . 49.5 Cg_endo -69.04 152.64 73.03 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.438 2.092 . . . . 0.0 112.348 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.16 168.86 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.525 2.15 . . . . 0.0 112.205 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.78 159.37 53.64 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.577 2.185 . . . . 0.0 112.418 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 7.1 mp -96.23 145.88 25.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.751 179.907 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B 1109 ' ' ILE . . . . . 0.589 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -115.98 123.01 70.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.02 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.95 128.11 34.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 81.8 p -123.58 109.99 14.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -135.44 79.47 1.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 13.1 mttt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.979 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 4.3 t0 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.826 0.346 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.4 m -106.26 110.54 22.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 14.3 m -141.55 135.87 30.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -130.33 90.5 2.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.982 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 662' ' ' SER . . . . . 0.475 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 1.4 p -172.31 127.29 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 179.9 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.519 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 5.8 t -66.82 125.89 27.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -179.749 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.466 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.6 m0 -63.69 -20.09 65.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.381 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -102.05 -63.01 1.19 Allowed 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.487 -179.533 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.519 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 81.9 m -55.66 -60.8 2.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.642 -179.36 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.22 25.03 8.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.442 -0.885 . . . . 0.0 112.362 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -127.55 -60.06 1.19 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.895 0.378 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 669' ' ' LYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.5 OUTLIER -164.49 152.99 12.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.489 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -143.4 144.28 31.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.131 179.865 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.15 -4.32 10.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.721 -179.722 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -109.62 158.07 18.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.898 0.38 . . . . 0.0 110.429 179.723 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 673' ' ' THR . . . . . 0.589 ' HB ' HG13 ' B' 1109 ' ' ILE . 79.4 m -133.01 139.28 47.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.436 -178.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.714 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 44.6 t -68.84 107.33 3.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.319 179.62 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 24.8 p -67.81 -9.92 48.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.152 -179.528 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -75.49 -50.72 7.91 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.197 179.894 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 26.7 p -109.92 -11.41 14.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.655 0.264 . . . . 0.0 111.127 179.543 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 7.1 m120 60.31 24.09 13.55 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.081 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 91.7 m -122.53 -37.12 2.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.033 -179.169 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.97 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -72.56 155.53 39.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.879 -179.367 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -138.4 142.0 39.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.493 179.503 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 682' ' ' TYR . . . . . 0.443 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 89.2 m-85 -152.06 147.59 26.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 110.815 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.446 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 19.8 p -92.3 -19.31 22.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.065 179.839 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.25 149.49 21.38 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 120.415 -0.897 . . . . 0.0 112.58 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 84.8 p -47.58 -39.0 15.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.743 0.306 . . . . 0.0 111.345 -179.799 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -64.14 -35.98 82.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.756 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 17.2 m -64.01 -42.66 97.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.877 0.37 . . . . 0.0 110.883 -179.715 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 688' ' ' GLN . . . . . 0.443 ' HA ' ' CZ ' ' A' ' 682' ' ' TYR . 0.0 OUTLIER -61.69 -44.8 96.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.174 -179.951 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 689' ' ' HIS . . . . . 0.429 ' HA ' ' HB2' ' A' ' 692' ' ' TRP . 12.9 m170 -68.56 -37.16 79.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.46 -179.86 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -52.44 65.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.051 0.453 . . . . 0.0 111.281 -179.547 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.08 -9.44 57.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.013 179.644 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.448 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 11.4 t-105 -45.75 -44.37 13.76 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.435 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.532 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.0 OUTLIER -52.83 -41.71 64.46 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.723 0.297 . . . . 0.0 111.345 -179.322 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 694' ' ' LYS . . . . . 0.478 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 22.2 mtmt -87.08 -47.45 8.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.365 . . . . 0.0 111.357 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.97 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 71.7 t60 -58.58 -42.3 87.73 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.459 0.541 . . . . 0.0 112.459 -178.711 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.532 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.3 p-80 -54.62 -29.12 51.16 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.907 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 697' ' ' HIS . . . . . 0.478 ' CD2' ' HA ' ' A' ' 694' ' ' LYS . 66.8 m-70 -60.78 -30.42 70.03 Favored 'General case' 0 C--O 1.231 0.13 0 C-N-CA 120.516 -0.473 . . . . 0.0 109.759 178.125 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.2 mt -94.0 -54.0 7.74 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.798 -178.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.9 t -37.18 156.01 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.248 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 64.05 34.4 89.82 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.542 179.789 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -139.09 177.63 7.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.8 102.72 6.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.82 -173.55 3.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.59 154.53 19.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.911 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -132.97 109.86 9.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -145.53 177.46 8.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.889 179.918 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.836 0.351 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B 1102 ' ' ILE . . . . . 0.488 HG22 ' N ' ' B' 1103 ' ' SER . 1.5 mt -64.98 161.65 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.024 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B 1103 ' ' SER . . . . . 0.488 ' N ' HG22 ' B' 1102 ' ' ILE . 8.2 t -56.44 -168.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -98.08 107.37 40.6 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.031 -179.848 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B 1105 ' ' PRO . . . . . 0.491 ' HB3' ' CD2' ' A' ' 692' ' ' TRP . 30.9 Cg_endo -65.56 172.33 8.14 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.402 2.068 . . . . 0.0 112.498 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B 1106 ' ' PRO . . . . . 0.426 ' HG3' ' HA3' ' A' ' 676' ' ' GLY . 60.0 Cg_endo -71.99 162.87 40.55 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.547 2.165 . . . . 0.0 111.889 179.463 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.67 163.64 38.27 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.353 2.036 . . . . 0.0 112.488 -179.84 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 18.5 mt -99.85 148.18 24.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.026 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B 1109 ' ' ILE . . . . . 0.579 HG13 ' HB ' ' A' ' 673' ' ' THR . 0.8 OUTLIER -115.89 123.13 70.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.797 179.757 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 1.5 p -80.71 128.77 34.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 57.0 p -124.48 116.22 22.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -175.56 78.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.087 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.921 0.391 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 20.3 t -155.31 169.9 23.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.93 -37.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 64.35 92.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 662' ' ' SER . . . . . 0.473 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -158.34 128.79 6.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.988 179.919 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.528 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 8.7 t -67.58 127.12 31.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.974 -179.872 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.48 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.2 m0 -63.4 -23.31 67.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.521 -179.785 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -99.47 -63.0 1.16 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.481 -179.469 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.528 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 90.2 m -54.92 -61.06 2.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.479 -179.414 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.55 24.83 8.5 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.357 -0.925 . . . . 0.0 112.523 -179.9 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 1.1 mmt-85 -127.58 -62.33 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.747 0.308 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 669' ' ' LYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -161.35 152.5 18.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.925 0.393 . . . . 0.0 111.103 179.954 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.517 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -143.32 144.18 31.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.111 179.807 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.74 -5.28 10.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.674 -179.592 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -109.71 158.53 18.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.836 0.35 . . . . 0.0 110.403 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 673' ' ' THR . . . . . 0.579 ' HB ' HG13 ' B' 1109 ' ' ILE . 78.5 m -135.45 139.55 44.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.546 -178.894 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.639 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 45.4 t -65.95 102.63 0.81 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.172 179.536 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 84.3 p -64.74 -10.17 25.59 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.208 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 676' ' ' GLY . . . . . 0.426 ' HA3' ' HG3' ' B' 1106 ' ' PRO . . . -78.94 -44.0 10.49 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.459 -0.877 . . . . 0.0 112.45 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 22.2 p -112.61 -14.22 13.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.717 0.294 . . . . 0.0 111.166 179.781 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 60.55 23.43 13.13 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.09 -179.828 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 68.0 m -121.86 -37.75 2.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.93 0.395 . . . . 0.0 112.01 -179.168 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.919 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -74.97 156.03 36.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.861 -179.321 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 30.0 mmm-85 -138.24 141.87 39.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.333 179.477 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 682' ' ' TYR . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 88.5 m-85 -152.21 147.22 26.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.66 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.449 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 19.2 p -92.49 -19.9 21.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.242 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.82 150.24 22.28 Favored Glycine 0 C--N 1.333 0.411 0 C-N-CA 120.275 -0.964 . . . . 0.0 112.836 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 685' ' ' SER . . . . . 0.434 ' O ' ' HG2' ' A' ' 688' ' ' GLN . 93.1 p -46.85 -40.13 13.32 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.741 0.305 . . . . 0.0 111.515 -179.73 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -63.87 -34.56 78.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.749 0.309 . . . . 0.0 110.518 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 14.2 m -64.99 -46.31 81.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.116 -179.82 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 688' ' ' GLN . . . . . 0.548 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 1.2 pt20 -61.93 -41.43 97.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.593 -179.845 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 689' ' ' HIS . . . . . 0.548 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 1.5 m-70 -70.63 -37.07 73.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.467 179.706 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -52.47 65.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.018 0.437 . . . . 0.0 111.507 -179.368 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -84.85 -8.43 58.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.029 179.835 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.491 ' CD2' ' HB3' ' B' 1105 ' ' PRO . 7.2 t-105 -45.41 -44.71 12.28 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -179.456 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.579 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.1 OUTLIER -53.02 -41.41 64.67 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.754 0.311 . . . . 0.0 111.337 -179.418 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -87.16 -47.75 8.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.211 -179.899 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.919 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 53.0 t60 -57.47 -42.04 81.82 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -178.559 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.579 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.5 p-80 -54.66 -28.85 50.25 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.927 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 697' ' ' HIS . . . . . 0.428 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 30.0 m80 -61.67 -24.98 67.11 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.574 178.527 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.72 -6.33 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -178.366 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.19 133.4 47.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.858 0.361 . . . . 0.0 111.058 -179.653 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 95.97 24.64 14.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.518 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -169.35 120.79 0.72 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.834 0.35 . . . . 0.0 110.823 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 21.6 m -68.64 -51.2 44.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.88 143.86 50.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 179.928 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -126.53 120.86 30.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -135.58 32.6 3.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.099 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -134.87 81.58 1.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.98 179.937 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 5.0 t . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.847 0.356 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B 1102 ' ' ILE . . . . . 0.484 HG22 ' N ' ' B' 1103 ' ' SER . 20.1 mt -125.95 159.7 33.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B 1103 ' ' SER . . . . . 0.484 ' N ' HG22 ' B' 1102 ' ' ILE . 0.4 OUTLIER -66.02 169.37 6.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.943 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B 1104 ' ' ASN . . . . . 0.448 ' HA ' ' HD3' ' B' 1105 ' ' PRO . 79.2 m-20 -81.86 125.07 78.63 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B 1105 ' ' PRO . . . . . 0.489 ' HG2' ' NE2' ' A' ' 688' ' ' GLN . 6.2 Cg_exo -76.64 171.03 18.76 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.519 2.146 . . . . 0.0 112.273 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B 1106 ' ' PRO . . . . . 0.411 ' HG3' ' HA3' ' A' ' 676' ' ' GLY . 73.3 Cg_endo -76.02 170.32 20.32 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.603 2.202 . . . . 0.0 112.144 179.83 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.83 155.67 61.96 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.483 2.122 . . . . 0.0 112.433 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B 1108 ' ' LEU . . . . . 0.406 HD23 ' HA ' ' B' 1108 ' ' LEU . 31.6 mt -95.62 145.41 25.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.787 179.897 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B 1109 ' ' ILE . . . . . 0.582 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -114.74 122.89 69.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.925 179.756 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 39.0 p -87.44 128.88 35.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 51.4 p -119.99 113.96 21.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -151.43 97.65 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 48.3 mttp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.996 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 3.1 t70 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.88 0.371 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 4.2 m -128.48 97.97 4.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 65.0 m -108.47 170.65 7.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.804 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -98.04 76.81 2.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 662' ' ' SER . . . . . 0.433 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -173.79 135.92 0.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 179.953 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.586 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 7.7 t -68.23 126.86 30.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 -179.8 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.498 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.0 m0 -62.56 -26.66 68.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.495 -179.894 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -96.53 -62.77 1.22 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.517 -179.374 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.564 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 63.8 m -54.68 -61.0 2.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.508 -179.344 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.19 24.77 7.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.373 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.76 -70.23 0.65 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.797 0.332 . . . . 0.0 110.935 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 669' ' ' LYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 11.6 mmtp -150.75 149.75 30.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.07 0.462 . . . . 0.0 111.357 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.586 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -141.67 143.41 33.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.89 179.615 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.77 -4.32 9.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.768 -179.497 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.73 157.26 19.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.906 0.384 . . . . 0.0 110.421 179.849 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 673' ' ' THR . . . . . 0.582 ' HB ' HG13 ' B' 1109 ' ' ILE . 58.4 m -133.52 139.49 46.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.484 -178.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.67 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 40.7 t -68.36 107.21 2.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.271 179.482 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 83.8 p -68.16 -9.42 46.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 112.219 -179.273 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 676' ' ' GLY . . . . . 0.411 ' HA3' ' HG3' ' B' 1106 ' ' PRO . . . -79.05 -45.03 9.27 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.452 -0.88 . . . . 0.0 112.412 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 17.4 p -111.95 -14.3 13.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.712 0.292 . . . . 0.0 111.053 179.755 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 3.1 m120 60.82 22.65 12.68 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.973 -179.809 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 100.0 m -122.04 -36.74 2.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.918 0.39 . . . . 0.0 111.991 -179.121 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.963 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -74.18 154.0 39.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.057 -179.266 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -138.31 141.78 39.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.396 179.457 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 682' ' ' TYR . . . . . 0.421 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 91.0 m-85 -152.32 148.99 28.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.779 0.323 . . . . 0.0 110.721 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.433 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.7 p -92.64 -18.58 22.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.33 -179.86 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.55 149.93 21.86 Favored Glycine 0 C--N 1.334 0.433 0 C-N-CA 120.25 -0.976 . . . . 0.0 112.734 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 8.9 p -48.0 -39.27 19.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.742 0.306 . . . . 0.0 111.44 -179.778 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -66.21 -34.36 77.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.768 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 67.0 m -63.76 -41.9 97.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.685 0.279 . . . . 0.0 111.395 -179.372 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 688' ' ' GLN . . . . . 0.489 ' NE2' ' HG2' ' B' 1105 ' ' PRO . 0.9 OUTLIER -65.29 -36.91 85.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.959 -179.691 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 689' ' ' HIS . . . . . 0.489 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 0.4 OUTLIER -70.59 -37.36 73.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.621 -179.929 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -52.38 65.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.041 0.448 . . . . 0.0 111.394 -179.432 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.14 -10.33 56.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.182 179.808 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.457 ' CD1' ' HG3' ' B' 1105 ' ' PRO . 9.7 t-105 -44.68 -45.16 9.58 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.361 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.565 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.3 OUTLIER -53.0 -41.2 64.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.708 0.289 . . . . 0.0 111.3 -179.284 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -87.3 -47.84 8.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.975 0.416 . . . . 0.0 111.318 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.963 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 60.6 t60 -59.23 -40.7 86.71 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -178.452 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.565 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.4 p-80 -54.24 -29.12 45.47 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -178.533 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 697' ' ' HIS . . . . . 0.486 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 25.2 m80 -59.98 -30.42 69.1 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.436 178.586 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 698' ' ' ILE . . . . . 0.476 HD11 ' HD1' ' A' ' 695' ' ' HIS . 3.3 pt -106.61 -3.44 9.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -178.532 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 1.8 t -66.33 102.37 0.85 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.083 0.468 . . . . 0.0 110.858 -179.175 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 79.77 1.03 86.52 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.003 -179.418 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 55.34 30.93 15.72 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.742 0.305 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.6 157.12 18.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 -179.891 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.39 -38.11 3.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 61.98 176.27 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . 61.15 104.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -127.69 36.67 4.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.883 179.937 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.829 0.347 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B 1102 ' ' ILE . . . . . 0.484 HG22 ' N ' ' B' 1103 ' ' SER . 20.0 mt -103.93 159.72 4.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B 1103 ' ' SER . . . . . 0.484 ' N ' HG22 ' B' 1102 ' ' ILE . 4.2 t -64.22 -175.47 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 -179.905 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 29.0 m120 -99.14 112.81 63.92 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B 1105 ' ' PRO . . . . . 0.43 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 41.8 Cg_endo -67.58 148.78 79.03 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.432 2.088 . . . . 0.0 112.286 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B 1106 ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' 1105 ' ' PRO . 51.5 Cg_exo -54.4 170.86 0.48 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.485 2.123 . . . . 0.0 112.223 179.908 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.91 158.8 54.49 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.521 2.148 . . . . 0.0 112.422 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 8.5 mt -96.05 145.36 25.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B 1109 ' ' ILE . . . . . 0.581 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -115.62 122.93 70.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.886 179.86 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.68 129.66 34.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 21.5 p -121.37 124.52 44.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -162.24 78.65 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 34.0 mmtt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.916 179.972 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 2.0 t0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.874 0.368 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 7.7 t -72.87 93.55 1.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 2.9 m -122.46 -42.3 2.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.003 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -144.08 138.26 28.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 662' ' ' SER . . . . . 0.408 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.3 OUTLIER -177.2 135.34 0.2 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.832 179.879 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.562 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 5.6 t -70.42 126.08 28.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.202 -179.778 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.466 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.3 m0 -63.33 -25.56 68.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.375 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -96.36 -62.65 1.24 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.435 -179.468 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.562 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.2 m -55.4 -60.94 2.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.445 -179.325 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.82 24.29 7.8 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.41 -0.9 . . . . 0.0 112.428 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -129.31 -73.99 0.56 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.767 0.318 . . . . 0.0 110.849 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 669' ' ' LYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 18.1 mmmt -146.56 149.18 33.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.034 0.445 . . . . 0.0 111.478 -179.836 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.552 ' HB2' ' CA ' ' A' ' 663' ' ' CYS . . . -140.42 142.57 35.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.989 179.537 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.7 m -120.54 -5.14 9.79 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.785 -179.519 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -109.67 156.99 19.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.926 0.393 . . . . 0.0 110.465 179.844 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 673' ' ' THR . . . . . 0.581 ' HB ' HG13 ' B' 1109 ' ' ILE . 88.4 m -132.17 139.4 48.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.456 -178.94 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.689 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 39.5 t -69.16 107.29 3.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.345 179.558 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 20.7 p -67.32 -9.76 44.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.16 -179.385 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -75.99 -49.85 8.28 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.3 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 25.7 p -110.32 -11.8 14.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.713 0.292 . . . . 0.0 111.136 179.537 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 60.24 23.63 13.02 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.984 -179.895 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 94.0 m -122.39 -36.76 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.871 0.367 . . . . 0.0 111.948 -179.208 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.989 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.18 154.13 40.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.784 -179.407 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -138.27 141.95 39.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.539 179.617 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 682' ' ' TYR . . . . . 0.427 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 91.6 m-85 -152.22 149.3 28.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.799 0.333 . . . . 0.0 110.672 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.438 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 21.1 p -93.29 -19.03 21.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.425 -179.818 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.23 149.22 21.16 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 120.246 -0.978 . . . . 0.0 112.8 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 1.8 p -47.33 -40.02 16.24 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.7 0.286 . . . . 0.0 111.423 -179.853 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -66.2 -33.62 76.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.72 179.934 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 68.0 m -63.74 -43.02 97.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.522 -179.399 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 688' ' ' GLN . . . . . 0.486 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -65.4 -37.44 86.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.824 -179.716 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 689' ' ' HIS . . . . . 0.486 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 0.4 OUTLIER -70.4 -37.24 74.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 0.0 111.319 179.789 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -52.18 66.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.089 0.471 . . . . 0.0 111.109 -179.609 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.99 -10.0 57.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.04 179.747 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.448 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 9.2 t-105 -45.73 -44.62 13.86 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 111.782 0.289 . . . . 0.0 111.782 -179.497 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.547 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.1 OUTLIER -52.82 -43.1 65.72 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.622 0.249 . . . . 0.0 111.487 -179.216 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -87.0 -44.7 11.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.383 -179.758 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.989 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 77.1 t60 -60.75 -41.86 96.25 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -178.791 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.547 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.4 p-80 -54.59 -29.27 51.1 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -178.837 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 697' ' ' HIS . . . . . 0.434 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 28.9 m80 -60.45 -31.12 70.12 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.097 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.7 mt -92.14 -53.98 7.96 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.782 -179.036 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.6 t -37.08 156.39 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.254 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 68.04 35.36 83.73 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.6 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -90.55 145.09 25.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.778 0.323 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.74 83.23 4.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 1.4 tp -103.55 116.71 32.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 60.18 78.26 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -133.49 -48.99 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.109 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -96.39 -175.05 3.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.821 -179.972 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B 1101 ' ' THR . . . . . 0.487 HG22 ' H ' ' B' 1102 ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.816 0.341 . . . . 0.0 111.227 . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B 1102 ' ' ILE . . . . . 0.487 ' H ' HG22 ' B' 1101 ' ' THR . 5.4 mt -102.65 160.65 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.964 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B 1103 ' ' SER . . . . . 0.487 ' N ' HG22 ' B' 1102 ' ' ILE . 4.5 m -54.75 -174.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -98.98 106.47 38.14 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.002 -179.868 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B 1105 ' ' PRO . . . . . 0.475 ' HB3' ' CD2' ' A' ' 692' ' ' TRP . 40.8 Cg_endo -68.4 149.4 74.99 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.361 2.041 . . . . 0.0 112.462 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B 1106 ' ' PRO . . . . . 0.432 ' HG2' ' HA3' ' A' ' 676' ' ' GLY . 53.8 Cg_exo -52.42 168.02 0.48 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.541 2.161 . . . . 0.0 111.931 179.668 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -74.04 164.57 34.1 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.454 2.103 . . . . 0.0 112.635 -179.727 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B 1108 ' ' LEU . . . . . 0.523 HD21 ' HB2' ' A' ' 682' ' ' TYR . 6.5 mp -98.63 147.03 25.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.196 -179.787 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B 1109 ' ' ILE . . . . . 0.577 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -116.31 123.04 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.638 179.481 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 2.7 p -84.17 131.51 34.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.851 0.358 . . . . 0.0 110.997 -179.839 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 46.9 p -131.41 113.87 14.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.959 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -146.93 115.89 6.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.044 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 1.3 mmtt . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.96 179.936 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 32.9 t0 . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.795 0.331 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 24.5 m -123.75 120.46 32.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.35 -171.39 3.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 62.09 101.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 662' ' ' SER . . . . . 0.419 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.3 OUTLIER -175.39 131.2 0.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 179.854 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 663' ' ' CYS . . . . . 0.534 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 6.9 t -65.67 126.66 29.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.041 -179.772 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 664' ' ' TRP . . . . . 0.466 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.1 m0 -63.79 -22.12 66.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.335 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -98.77 -63.34 1.13 Allowed 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.271 -179.644 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.523 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 84.2 m -55.62 -61.07 2.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.526 -179.383 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 104.06 25.78 6.97 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.37 -0.919 . . . . 0.0 112.452 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 15.0 ttt85 -130.87 -71.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.664 0.269 . . . . 0.0 111.006 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 669' ' ' LYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 4.2 mmtp -149.2 150.14 32.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.036 0.446 . . . . 0.0 111.473 -179.911 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 670' ' ' ALA . . . . . 0.534 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -141.49 143.06 33.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.952 179.543 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.36 -5.6 10.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.75 -179.482 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 672' ' ' GLU . . . . . 0.422 ' HB2' HD23 ' B' 1108 ' ' LEU . 1.3 mm-40 -109.76 158.96 17.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.785 0.326 . . . . 0.0 110.43 179.873 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 673' ' ' THR . . . . . 0.577 ' HB ' HG13 ' B' 1109 ' ' ILE . 58.5 m -133.62 139.45 46.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.497 -178.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 674' ' ' CYS . . . . . 0.709 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 43.7 t -68.11 106.37 2.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.255 179.507 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 86.7 p -67.12 -9.9 44.5 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.111 -179.352 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 676' ' ' GLY . . . . . 0.432 ' HA3' ' HG2' ' B' 1106 ' ' PRO . . . -76.08 -50.27 7.82 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.394 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 25.6 p -109.24 -11.8 14.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.645 0.26 . . . . 0.0 111.125 179.411 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.7 m120 60.41 23.62 13.19 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.075 -179.887 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 98.3 m -122.67 -36.78 2.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.962 0.41 . . . . 0.0 112.021 -179.235 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 680' ' ' ALA . . . . . 0.969 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.56 155.39 39.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.847 -179.46 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -138.31 141.94 39.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.376 179.482 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 682' ' ' TYR . . . . . 0.523 ' HB2' HD21 ' B' 1108 ' ' LEU . 89.3 m-85 -152.09 147.6 26.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.707 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.446 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.4 p -92.81 -18.91 22.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.347 -179.85 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.66 150.94 23.02 Favored Glycine 0 C--N 1.335 0.495 0 C-N-CA 120.138 -1.029 . . . . 0.0 112.948 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 685' ' ' SER . . . . . 0.449 ' O ' ' HG2' ' A' ' 688' ' ' GLN . 25.8 p -48.47 -36.05 14.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.724 0.297 . . . . 0.0 111.635 -179.754 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -67.75 -34.56 77.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.849 0.357 . . . . 0.0 110.476 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 15.2 m -64.69 -45.32 87.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.319 -179.769 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 688' ' ' GLN . . . . . 0.514 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 11.9 pt20 -61.89 -42.11 98.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.578 -179.859 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 689' ' ' HIS . . . . . 0.514 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 1.2 m-70 -70.5 -37.26 74.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.331 179.643 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -52.47 65.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.311 -179.508 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.74 -8.31 58.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.943 179.769 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 692' ' ' TRP . . . . . 0.48 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 7.0 t-105 -45.77 -44.15 13.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.753 -179.532 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 693' ' ' GLU . . . . . 0.56 ' O ' ' CE1' ' A' ' 696' ' ' HIS . 0.1 OUTLIER -53.06 -41.63 65.01 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.767 0.318 . . . . 0.0 111.359 -179.481 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 694' ' ' LYS . . . . . . . . . . . . . 22.0 mtmm -87.02 -47.6 8.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.917 0.389 . . . . 0.0 111.344 -179.889 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 695' ' ' HIS . . . . . 0.969 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 72.8 t60 -59.12 -41.0 87.17 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -178.595 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 696' ' ' HIS . . . . . 0.56 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 2.4 p-80 -54.72 -29.4 53.24 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -178.585 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 697' ' ' HIS . . . . . 0.534 ' CE1' ' O ' ' A' ' 693' ' ' GLU . 24.4 m80 -61.66 -31.69 71.81 Favored 'General case' 0 C--N 1.333 -0.111 0 C-N-CA 120.431 -0.508 . . . . 0.0 109.865 178.396 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.7 mt -92.22 -54.97 6.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.983 -178.81 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.2 t -36.35 154.45 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 -179.243 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 69.4 10.48 63.12 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.749 -0.66 . . . . 0.0 113.042 179.834 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 54.12 81.65 0.1 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.759 0.314 . . . . 0.0 111.162 179.92 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 702' ' ' THR . . . . . 0.453 HG22 ' H ' ' A' ' 703' ' ' LEU . 0.2 OUTLIER 60.47 -170.44 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.952 179.882 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 703' ' ' LEU . . . . . 0.453 ' H ' HG22 ' A' ' 702' ' ' THR . 1.6 tt -71.11 91.89 0.94 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.815 179.902 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -81.61 160.63 23.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.061 -179.915 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -81.65 -176.2 5.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.993 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -146.51 91.41 2.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.971 179.978 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 10.2 m-20 . . . . . 0 CA--C 1.529 0.149 0 CA-C-O 120.544 0.211 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B 1105 ' ' PRO . . . . . 0.428 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 44.9 Cg_endo -68.16 155.64 68.73 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.46 2.107 . . . . 0.0 112.282 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -52.07 168.77 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.576 2.184 . . . . 0.0 112.282 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.02 158.35 56.89 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.538 2.159 . . . . 0.0 112.475 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 12.1 mt -97.26 145.98 25.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1109 ' ' ILE . . . . . 0.573 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -113.93 122.92 69.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.95 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.3 127.57 38.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.84 0.352 . . . . 0.0 110.824 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 36.9 t . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.475 179.669 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . 0.442 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.827 0.346 . . . . 0.0 110.934 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.574 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 5.9 t -66.3 125.79 26.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.452 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.4 m0 -63.64 -20.99 66.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.505 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -101.35 -63.6 1.13 Allowed 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.357 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.515 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.1 m -55.06 -61.36 2.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.543 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.4 23.95 8.14 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.42 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -127.22 -65.79 0.92 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.725 0.297 . . . . 0.0 110.837 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -157.0 151.97 26.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.14 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.574 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -141.35 143.05 33.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.128 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 16.0 p -119.78 -6.12 10.13 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.694 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 682' ' ' TYR . 4.8 mm-40 -109.68 157.88 18.65 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.887 0.375 . . . . 0.0 110.347 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . 0.573 ' HB ' HG13 ' B' 1109 ' ' ILE . 53.6 m -132.36 139.55 48.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.499 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.655 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 41.4 t -68.78 106.09 2.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.239 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 24.7 p -66.41 -9.85 37.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.182 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -75.67 -50.94 7.54 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.455 -0.878 . . . . 0.0 112.275 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 24.4 p -108.92 -11.75 14.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.714 0.293 . . . . 0.0 111.127 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 59.86 23.59 12.59 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.927 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 95.8 m -122.26 -37.05 2.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.981 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.976 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.91 155.41 38.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.769 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 16.0 mmm-85 -138.32 141.73 39.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.482 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . 0.435 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 91.2 m-85 -152.3 148.45 27.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.565 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.459 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.3 p -93.37 -18.02 22.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.446 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.37 150.07 22.04 Favored Glycine 0 C--N 1.334 0.452 0 C-N-CA 120.186 -1.006 . . . . 0.0 112.998 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.65 -32.12 12.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.634 0.254 . . . . 0.0 111.519 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -72.48 -35.55 68.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.765 0.317 . . . . 0.0 110.618 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 35.8 m -63.03 -42.93 99.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.429 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -65.02 -37.7 88.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.87 -179.742 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . 0.46 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 5.6 m170 -70.31 -37.89 74.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.801 0.334 . . . . 0.0 111.357 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -52.3 65.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.87 -10.24 57.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.144 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.455 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 8.8 t-105 -44.95 -45.19 10.34 Favored 'General case' 0 N--CA 1.461 0.113 0 N-CA-C 111.857 0.318 . . . . 0.0 111.857 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.561 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.4 OUTLIER -52.86 -41.12 64.0 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.788 0.328 . . . . 0.0 111.413 -179.496 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . 0.474 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 16.3 mtmt -87.14 -47.7 8.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.39 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.976 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 75.6 t60 -59.0 -42.09 89.22 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.561 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 3.5 p80 -54.63 -29.3 51.76 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . 0.547 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 70.6 m-70 -60.71 -30.73 70.13 Favored 'General case' 0 C--N 1.334 -0.067 0 C-N-CA 120.495 -0.482 . . . . 0.0 109.721 178.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.5 mt -93.56 -53.74 8.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.816 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.463 0.221 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -179.245 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 83.4 m-20 . . . . . 0 CA--C 1.529 0.168 0 CA-C-O 120.555 0.217 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B 1105 ' ' PRO . . . . . 0.442 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 37.9 Cg_endo -66.52 171.18 11.04 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.458 2.106 . . . . 0.0 112.348 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1106 ' ' PRO . . . . . 0.406 ' HG3' ' HA3' ' A' ' 676' ' ' GLY . 63.6 Cg_endo -73.73 170.59 19.67 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.685 2.257 . . . . 0.0 112.369 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.67 156.27 61.28 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.559 2.173 . . . . 0.0 112.397 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 16.1 mt -96.26 145.75 25.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.781 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1109 ' ' ILE . . . . . 0.581 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -115.46 122.92 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.006 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.87 127.76 35.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 20.2 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . 0.437 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.777 0.322 . . . . 0.0 110.993 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.545 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 5.7 t -68.47 125.46 26.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.035 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.46 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.6 m0 -63.48 -20.32 65.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.481 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -102.37 -62.5 1.26 Allowed 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.455 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.525 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.7 m -55.71 -60.25 3.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.64 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 102.43 19.17 14.51 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.464 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -121.39 -66.44 1.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.784 0.326 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -157.43 152.61 25.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.157 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.545 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.09 143.22 32.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.135 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 3.2 m -120.75 -4.91 9.69 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.753 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -109.75 156.42 20.33 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.815 0.34 . . . . 0.0 110.379 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . 0.581 ' HB ' HG13 ' B' 1109 ' ' ILE . 52.5 m -131.21 139.52 49.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.55 -178.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.642 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 41.3 t -69.34 107.72 3.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.233 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 83.0 p -67.73 -9.84 47.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.108 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . 0.406 ' HA3' ' HG3' ' B' 1106 ' ' PRO . . . -76.28 -49.21 8.56 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.311 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 25.6 p -110.7 -12.19 14.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.618 0.247 . . . . 0.0 111.075 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 3.2 m120 59.99 23.87 13.02 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.996 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 97.4 m -122.59 -37.02 2.83 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.971 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.07 155.27 39.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.759 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -138.2 141.81 40.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.544 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . 0.429 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 90.5 m-85 -152.34 148.07 27.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.612 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.448 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.8 p -92.66 -18.96 22.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.409 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -148.92 148.7 20.35 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 120.214 -0.993 . . . . 0.0 112.746 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 7.1 t -49.25 -33.45 12.81 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.711 0.291 . . . . 0.0 111.355 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -70.7 -35.39 72.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.805 0.336 . . . . 0.0 110.516 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 58.5 m -63.1 -42.24 99.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.406 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . 0.48 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -64.99 -37.14 86.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.853 -179.741 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . 0.48 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 8.5 m170 -70.47 -37.4 74.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.783 0.325 . . . . 0.0 111.396 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -52.36 65.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.132 0.491 . . . . 0.0 111.211 -179.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.06 -10.11 57.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.101 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.442 ' CE2' ' HB3' ' B' 1105 ' ' PRO . 9.1 t-105 -45.18 -45.56 11.62 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.578 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.2 OUTLIER -53.03 -40.47 63.94 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.737 0.303 . . . . 0.0 111.193 -179.331 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . 0.525 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 43.6 mtmt -87.09 -48.22 8.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.897 0.379 . . . . 0.0 111.321 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.971 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 75.4 t60 -58.13 -41.59 84.02 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -178.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.578 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 3.1 p80 -54.63 -29.45 52.11 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -178.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . 0.545 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 62.3 m-70 -60.85 -31.85 71.28 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.389 -0.525 . . . . 0.0 109.768 178.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.8 mt -91.12 -54.6 7.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.872 -178.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 N--CA 1.463 0.215 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.386 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 80.6 m-20 . . . . . 0 CA--C 1.529 0.143 0 CA-C-O 120.48 0.181 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B 1105 ' ' PRO . . . . . 0.482 ' HB3' ' CD2' ' A' ' 692' ' ' TRP . 29.3 Cg_endo -64.89 171.97 7.85 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.382 2.055 . . . . 0.0 112.363 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1106 ' ' PRO . . . . . 0.434 ' HG3' ' HA3' ' A' ' 676' ' ' GLY . 59.3 Cg_endo -71.87 163.58 38.4 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.647 2.231 . . . . 0.0 111.89 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 161.29 46.49 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.38 2.053 . . . . 0.0 112.362 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1108 ' ' LEU . . . . . 0.43 ' HB3' ' HB3' ' A' ' 672' ' ' GLU . 10.3 mt -99.63 148.14 24.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.048 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1109 ' ' ILE . . . . . 0.571 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.0 OUTLIER -115.29 123.16 70.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.785 179.814 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.45 129.64 34.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.021 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 46.4 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.938 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . 0.446 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.784 0.326 . . . . 0.0 110.897 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.553 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 6.0 t -69.26 126.55 30.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.219 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.488 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.1 m0 -63.17 -26.28 68.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.522 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . 0.404 ' OD1' ' HE2' ' A' ' 690' ' ' LYS . 1.7 t30 -96.97 -62.68 1.22 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.4 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.551 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 64.1 m -54.9 -60.63 3.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.492 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.13 22.77 8.97 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.347 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.46 -72.36 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.695 0.283 . . . . 0.0 110.852 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 8.1 mmtt -150.12 150.17 31.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.079 0.466 . . . . 0.0 111.373 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.553 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -140.72 143.08 34.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.987 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 26.1 t -118.79 -6.1 10.6 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . 0.43 ' HB3' ' HB3' ' B' 1108 ' ' LEU . 4.3 mm-40 -109.72 159.92 16.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.8 0.333 . . . . 0.0 110.493 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . 0.571 ' HB ' HG13 ' B' 1109 ' ' ILE . 52.9 m -135.02 139.74 45.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.592 -178.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.697 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 45.5 t -66.8 104.53 1.35 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.169 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 86.4 p -66.73 -9.77 40.0 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . 0.434 ' HA3' ' HG3' ' B' 1106 ' ' PRO . . . -79.32 -45.5 8.75 Favored Glycine 0 C--N 1.33 0.22 0 C-N-CA 120.432 -0.89 . . . . 0.0 112.523 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 12.5 p -110.1 -14.63 14.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.806 0.336 . . . . 0.0 110.959 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 4.6 m120 60.85 22.16 12.26 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.057 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 79.0 m -121.85 -37.1 2.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.909 0.385 . . . . 0.0 111.982 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.978 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.99 155.41 38.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.933 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -138.34 141.42 39.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.343 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . 0.417 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 95.2 m-85 -152.57 147.62 26.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.827 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.44 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 18.7 p -91.76 -19.84 22.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.167 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -152.26 152.39 24.11 Favored Glycine 0 C--N 1.334 0.471 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.838 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . 0.444 ' O ' ' HG2' ' A' ' 688' ' ' GLN . 83.5 p -49.69 -33.12 14.92 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.808 0.337 . . . . 0.0 111.324 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -65.03 -41.39 95.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.952 0.406 . . . . 0.0 110.241 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 21.1 m -63.61 -45.09 91.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.469 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . 0.486 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 1.7 pt20 -61.82 -42.89 99.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.742 0.306 . . . . 0.0 110.562 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . 0.486 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 17.9 m170 -70.37 -37.29 74.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.392 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . 0.404 ' HE2' ' OD1' ' A' ' 665' ' ' ASN . 0.0 OUTLIER -57.32 -52.58 64.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.006 0.432 . . . . 0.0 111.423 -179.302 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.85 -8.41 58.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.044 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.483 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 7.6 t-105 -45.44 -44.63 12.33 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.55 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.6 OUTLIER -52.99 -41.82 64.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.791 0.329 . . . . 0.0 111.328 -179.489 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . 0.484 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 12.5 mtmm -87.3 -47.74 8.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.042 0.449 . . . . 0.0 111.099 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.978 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 60.3 t60 -58.8 -40.19 83.35 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -178.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.55 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 3.7 p80 -54.39 -28.82 46.04 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -178.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . 0.541 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 65.5 m-70 -60.29 -32.22 70.99 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.588 178.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.2 pt -106.59 -3.74 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -178.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . 0.404 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . 1.8 t . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.938 0.399 . . . . 0.0 111.271 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1104 ' ' ASN . . . . . 0.485 ' HA ' ' HD3' ' B' 1105 ' ' PRO . 12.5 m-20 . . . . . 0 CA--C 1.53 0.176 0 CA-C-O 120.387 0.137 . . . . 0.0 110.689 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1105 ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' B' 1104 ' ' ASN . 2.3 Cg_endo -82.95 151.75 14.33 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.564 2.176 . . . . 0.0 112.092 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -52.1 168.53 0.37 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.523 2.149 . . . . 0.0 112.166 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -69.43 160.67 48.89 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.603 2.202 . . . . 0.0 112.45 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1108 ' ' LEU . . . . . 0.474 HD11 ' HG2' ' A' ' 688' ' ' GLN . 19.8 mt -97.44 146.91 24.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.845 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1109 ' ' ILE . . . . . 0.572 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.1 pt -114.22 122.93 69.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.933 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 4.8 p -84.12 133.61 34.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 47.4 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.914 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . 0.447 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 13.2 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.8 0.333 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.578 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 8.0 t -69.36 127.14 31.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.053 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.49 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.5 m0 -63.17 -26.69 68.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.553 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -96.46 -62.62 1.24 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.52 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.539 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 69.7 m -55.07 -60.55 3.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.48 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 102.79 24.85 7.9 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -129.22 -70.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.64 0.257 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 11.2 mmtp -150.8 149.35 29.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.017 0.437 . . . . 0.0 111.423 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.578 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -140.49 142.83 35.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.961 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 6.9 m -119.67 -5.53 10.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.735 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -109.68 159.14 17.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.877 0.37 . . . . 0.0 110.446 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . 0.572 ' HB ' HG13 ' B' 1109 ' ' ILE . 86.0 m -135.49 139.55 44.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.511 -178.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.628 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 41.8 t -66.44 103.56 1.07 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.126 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 79.3 p -65.2 -10.06 28.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.184 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -78.54 -43.96 11.54 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.429 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 22.7 p -113.49 -14.14 12.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.662 0.268 . . . . 0.0 111.267 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 60.48 23.49 13.13 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.049 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 80.3 m -122.08 -37.45 2.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.916 0.388 . . . . 0.0 111.933 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.938 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -75.19 155.21 37.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.819 -179.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -138.3 141.79 39.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.5 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . 0.452 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 90.0 m-85 -152.32 148.02 27.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.6 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.461 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 19.7 p -92.85 -18.27 23.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.458 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.37 150.9 23.0 Favored Glycine 0 C--N 1.334 0.444 0 C-N-CA 120.155 -1.021 . . . . 0.0 113.258 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' A' ' 688' ' ' GLN . 19.0 p -51.8 -22.78 3.94 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -81.32 -34.72 31.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.77 0.319 . . . . 0.0 110.566 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 16.3 m -64.27 -43.89 93.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.252 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . 0.474 ' HG2' HD11 ' B' 1108 ' ' LEU . 0.0 OUTLIER -61.62 -42.36 98.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.732 -179.842 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . 0.453 ' CD2' ' OE1' ' A' ' 688' ' ' GLN . 1.4 m170 -68.63 -37.15 79.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.482 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -52.38 65.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.064 0.459 . . . . 0.0 111.225 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.24 -10.31 56.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.054 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.433 ' CD2' ' HG3' ' B' 1105 ' ' PRO . 11.7 t-105 -45.41 -44.18 11.83 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.553 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.2 OUTLIER -52.96 -41.52 64.62 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.657 0.265 . . . . 0.0 111.392 -179.291 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . 0.478 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 3.9 mtmm -87.13 -47.68 8.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.911 0.386 . . . . 0.0 111.232 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.938 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 57.1 t60 -57.41 -43.09 83.44 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.553 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 4.0 p80 -54.55 -28.79 48.23 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -178.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . 0.551 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 65.7 m-70 -60.97 -24.99 66.52 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.391 178.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.33 -6.04 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -178.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . 0.408 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . 2.1 t . . . . . 0 C--N 1.326 -0.451 0 CA-C-O 120.865 0.364 . . . . 0.0 111.012 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 3.0 m-80 . . . . . 0 CA--C 1.528 0.128 0 CA-C-O 120.562 0.22 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B 1105 ' ' PRO . . . . . 0.427 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 37.7 Cg_endo -65.97 171.66 9.65 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.401 2.067 . . . . 0.0 112.404 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1106 ' ' PRO . . . . . 0.405 ' HG3' ' HA3' ' A' ' 676' ' ' GLY . 58.3 Cg_endo -71.94 170.91 17.71 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.701 2.267 . . . . 0.0 112.319 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.65 156.57 60.77 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.61 2.206 . . . . 0.0 112.395 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 20.4 mt -96.44 145.83 25.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.803 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1109 ' ' ILE . . . . . 0.575 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -116.08 122.99 70.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 36.4 p -81.49 129.7 34.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 61.1 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 -179.943 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . 0.484 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.835 0.35 . . . . 0.0 111.046 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.535 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 5.7 t -65.95 125.82 26.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.006 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.475 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.9 m0 -63.14 -20.16 65.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.48 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -103.22 -62.67 1.26 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.457 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.519 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.7 m -55.44 -60.43 3.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.645 -179.122 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.55 23.46 9.46 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.437 -0.887 . . . . 0.0 112.405 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.42 -62.01 1.23 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.748 0.309 . . . . 0.0 110.838 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -163.12 153.17 15.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.104 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.535 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.46 143.86 32.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.175 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 60.7 m -120.64 -4.89 9.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.672 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -109.66 157.99 18.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.822 0.344 . . . . 0.0 110.454 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . 0.575 ' HB ' HG13 ' B' 1109 ' ' ILE . 61.9 m -133.22 139.46 47.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.569 -178.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.656 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 39.1 t -68.94 106.94 2.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.165 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 85.4 p -67.12 -9.73 42.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.16 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . 0.405 ' HA3' ' HG3' ' B' 1106 ' ' PRO . . . -76.49 -48.75 8.8 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.473 -0.87 . . . . 0.0 112.303 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 25.1 p -110.99 -12.39 14.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.632 0.253 . . . . 0.0 111.166 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.4 m120 60.17 23.68 13.0 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.75 0.31 . . . . 0.0 110.965 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 97.2 m -122.28 -37.06 2.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.927 0.394 . . . . 0.0 112.013 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.988 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.58 154.78 39.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.721 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -138.28 141.73 39.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.521 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . 0.431 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 91.0 m-85 -152.36 148.52 27.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.695 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.436 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.0 p -93.0 -18.55 22.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.409 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.55 149.32 21.25 Favored Glycine 0 C--N 1.334 0.417 0 C-N-CA 120.237 -0.982 . . . . 0.0 112.887 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 8.6 t -50.12 -30.66 11.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.709 0.29 . . . . 0.0 111.534 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -73.42 -35.46 65.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.759 0.314 . . . . 0.0 110.49 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 40.9 m -63.44 -42.22 98.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.391 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -64.95 -37.51 87.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.864 -179.756 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . 0.458 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 6.5 m170 -70.43 -37.39 74.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.797 0.332 . . . . 0.0 111.43 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -52.5 65.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.128 0.49 . . . . 0.0 111.226 -179.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.01 -10.08 57.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.105 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.439 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 9.7 t-105 -45.09 -45.31 11.0 Favored 'General case' 0 CA--C 1.527 0.083 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.56 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.3 OUTLIER -52.89 -40.87 63.84 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.762 0.315 . . . . 0.0 111.281 -179.518 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . 0.478 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 42.1 mtmt -87.18 -47.9 8.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.414 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.988 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 78.2 t60 -59.29 -41.52 89.13 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.56 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 3.4 p80 -54.59 -29.36 51.33 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . 0.546 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 72.8 m-70 -61.11 -31.56 71.25 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.464 -0.495 . . . . 0.0 109.689 178.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.7 mt -90.92 -54.75 7.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.737 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 N--CA 1.464 0.231 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -179.358 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 2.6 m-80 . . . . . 0 CA--C 1.529 0.138 0 CA-C-O 120.551 0.215 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B 1105 ' ' PRO . . . . . 0.453 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 32.6 Cg_endo -65.01 172.05 7.88 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.364 2.043 . . . . 0.0 112.354 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1106 ' ' PRO . . . . . 0.421 ' HG3' ' HA3' ' A' ' 676' ' ' GLY . 71.9 Cg_endo -74.62 170.02 21.24 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.668 2.245 . . . . 0.0 112.302 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.16 156.67 59.08 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.514 2.143 . . . . 0.0 112.315 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1108 ' ' LEU . . . . . 0.704 HD11 ' HG2' ' A' ' 688' ' ' GLN . 45.6 mt -96.45 145.75 25.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1109 ' ' ILE . . . . . 0.578 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -115.62 123.01 70.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 78.6 p -83.47 128.42 34.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 66.5 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . 0.468 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.837 0.351 . . . . 0.0 111.062 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.564 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 5.1 t -65.14 125.64 25.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.159 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.504 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.4 m0 -62.25 -20.94 64.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.563 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . 0.402 ' OD1' ' HE2' ' A' ' 690' ' ' LYS . 3.2 t30 -103.92 -61.99 1.36 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.574 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.537 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 58.8 m -54.69 -61.37 2.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.633 -179.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 102.66 24.08 8.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.289 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.24 -62.84 1.08 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.691 0.282 . . . . 0.0 110.932 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -161.23 152.71 19.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.96 0.41 . . . . 0.0 111.22 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.564 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.6 143.96 32.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.04 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.3 m -120.46 -5.11 9.83 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -109.67 158.51 18.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.867 0.365 . . . . 0.0 110.546 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . 0.578 ' HB ' HG13 ' B' 1109 ' ' ILE . 86.8 m -133.87 139.51 46.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.585 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.667 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 42.4 t -68.2 106.57 2.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.209 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 84.3 p -67.85 -9.33 43.77 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . 0.421 ' HA3' ' HG3' ' B' 1106 ' ' PRO . . . -79.15 -45.23 9.06 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.451 -0.88 . . . . 0.0 112.423 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 19.2 p -111.64 -14.7 13.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.775 0.321 . . . . 0.0 111.087 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 3.2 m120 60.87 22.85 12.92 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.014 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 94.3 m -121.74 -36.97 2.94 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.968 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.93 154.37 39.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.971 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -138.29 141.31 39.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.417 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . 0.453 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 91.7 m-85 -152.87 148.89 27.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.73 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 18.7 p -92.24 -18.81 22.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.264 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -151.92 152.26 24.03 Favored Glycine 0 C--N 1.334 0.465 0 C-N-CA 120.372 -0.918 . . . . 0.0 112.98 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . 0.445 ' O ' ' HG3' ' A' ' 688' ' ' GLN . 4.3 t -53.0 -22.11 5.27 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.599 0.238 . . . . 0.0 111.55 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -75.96 -41.43 51.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.006 0.431 . . . . 0.0 110.15 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 18.4 m -63.08 -44.97 94.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.609 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . 0.704 ' HG2' HD11 ' B' 1108 ' ' LEU . 0.0 OUTLIER -61.73 -42.31 98.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.621 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . 0.456 ' CD2' ' OE1' ' A' ' 688' ' ' GLN . 1.9 m170 -69.05 -37.21 78.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.821 0.343 . . . . 0.0 111.209 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . 0.402 ' HE2' ' OD1' ' A' ' 665' ' ' ASN . 0.0 OUTLIER -57.25 -52.53 64.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.245 -179.605 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.98 -9.02 58.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.08 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.462 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 8.3 t-105 -45.11 -44.54 10.59 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.543 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.7 OUTLIER -52.89 -42.07 64.96 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.816 0.341 . . . . 0.0 111.282 -179.362 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . 0.491 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 20.5 mtmm -87.32 -47.27 8.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.895 0.378 . . . . 0.0 111.254 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.968 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 59.5 t60 -59.4 -40.03 85.33 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.549 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 3.8 p80 -54.26 -29.07 45.68 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -178.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . 0.549 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 65.2 m-70 -60.35 -32.2 71.03 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.481 178.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 3.1 pt -105.34 -3.76 9.78 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -178.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . 0.423 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . 1.8 t . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 120.955 0.407 . . . . 0.0 111.28 -179.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 15.6 m120 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.525 0.202 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B 1105 ' ' PRO . . . . . 0.462 ' HB3' ' CZ2' ' A' ' 692' ' ' TRP . 56.6 Cg_endo -70.91 159.27 53.08 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.513 2.142 . . . . 0.0 112.431 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -55.89 173.18 0.43 Allowed 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.617 2.211 . . . . 0.0 112.187 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -73.84 160.08 44.04 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.617 2.211 . . . . 0.0 112.645 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1108 ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 673' ' ' THR . 7.0 mt -95.54 144.92 25.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.704 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1109 ' ' ILE . . . . . 0.576 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -114.77 122.87 69.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.978 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 53.2 p -90.32 129.9 36.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 93.3 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.824 0.345 . . . . 0.0 110.931 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 6.2 t -68.24 125.78 27.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.012 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.482 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 16.1 m0 -63.39 -20.15 65.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.522 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -102.59 -62.82 1.22 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.503 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.516 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 65.6 m -55.39 -61.11 2.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.644 -179.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.22 22.58 10.45 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.352 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.77 -60.37 1.38 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.845 0.355 . . . . 0.0 110.819 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -164.41 152.98 12.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.496 ' HB2' ' CA ' ' A' ' 663' ' ' CYS . . . -143.02 143.68 31.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.232 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.4 m -120.16 -5.07 9.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.687 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -109.69 157.61 18.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.878 0.37 . . . . 0.0 110.512 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . 0.576 ' HB ' HG13 ' B' 1109 ' ' ILE . 65.7 m -131.8 139.42 48.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.45 -178.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.707 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 44.3 t -69.13 107.04 3.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.237 179.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 27.0 p -67.43 -10.24 49.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.017 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -74.39 -53.33 6.81 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.137 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.0 p -107.89 -10.56 15.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.687 0.279 . . . . 0.0 111.118 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 29.5 m120 60.29 23.81 13.25 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.096 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 97.3 m -122.64 -36.99 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.973 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -72.92 154.95 40.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.802 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -138.33 141.81 39.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.392 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . 0.446 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 90.6 m-85 -152.34 148.46 27.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.728 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.434 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 21.4 p -92.09 -19.44 22.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.21 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.5 149.96 21.9 Favored Glycine 0 C--N 1.334 0.434 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.538 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 1.4 p -47.81 -39.04 17.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.668 0.27 . . . . 0.0 111.4 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -64.34 -36.36 83.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 38.7 m -64.05 -44.07 93.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.882 0.373 . . . . 0.0 111.122 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . 0.516 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -62.9 -40.6 98.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.658 -179.835 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . 0.516 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 8.7 m170 -69.91 -37.02 75.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.359 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -52.23 66.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.124 0.488 . . . . 0.0 111.187 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.9 -9.81 57.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.0 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.482 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 7.8 t-105 -45.26 -44.86 11.59 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.62 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.567 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.5 OUTLIER -52.89 -41.58 64.5 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.796 0.331 . . . . 0.0 111.245 -179.55 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . 0.488 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 3.6 mtmm -87.07 -48.08 8.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.235 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.973 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 69.0 t60 -57.54 -42.02 82.1 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -178.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.567 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 3.6 p80 -54.74 -29.09 52.73 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -178.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . 0.546 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 68.1 m-70 -61.06 -31.59 71.24 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.537 -0.465 . . . . 0.0 109.823 178.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.6 mt -92.58 -54.92 6.69 Favored 'Isoleucine or valine' 0 C--O 1.231 0.104 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.919 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.464 0.246 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -179.227 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 2.0 m120 . . . . . 0 CA--C 1.53 0.197 0 CA-C-O 120.474 0.178 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B 1105 ' ' PRO . . . . . 0.429 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 38.1 Cg_endo -66.75 157.88 58.92 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.385 2.056 . . . . 0.0 112.347 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1106 ' ' PRO . . . . . 0.401 ' HG2' ' HA3' ' A' ' 676' ' ' GLY . 51.0 Cg_exo -53.43 170.21 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.659 2.239 . . . . 0.0 112.219 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.67 158.71 54.98 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.587 2.192 . . . . 0.0 112.528 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 10.5 mt -96.59 145.95 25.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1109 ' ' ILE . . . . . 0.58 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -114.86 122.93 69.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.802 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.59 128.93 34.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.84 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 83.3 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.927 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.787 0.327 . . . . 0.0 110.95 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.551 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 7.4 t -66.82 125.88 27.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.032 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.472 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.3 m0 -62.28 -23.4 66.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.604 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -100.48 -62.49 1.23 Allowed 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.578 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.53 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 64.1 m -55.06 -61.23 2.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.592 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 102.08 24.09 8.73 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.401 -0.904 . . . . 0.0 112.377 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.71 -64.28 1.03 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 0.0 110.821 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -159.32 152.0 21.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.057 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.551 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.19 143.47 32.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.141 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.7 m -120.27 -5.03 9.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.72 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -109.7 157.52 19.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.902 0.382 . . . . 0.0 110.416 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . 0.58 ' HB ' HG13 ' B' 1109 ' ' ILE . 68.0 m -133.65 139.46 46.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.445 -178.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.67 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 42.8 t -67.88 106.08 2.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.19 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 22.8 p -67.44 -9.6 43.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.121 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . 0.401 ' HA3' ' HG2' ' B' 1106 ' ' PRO . . . -78.51 -46.53 8.76 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.409 -0.9 . . . . 0.0 112.432 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 17.9 p -110.89 -14.08 14.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.734 0.302 . . . . 0.0 111.106 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 60.73 22.52 12.45 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.953 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 94.7 m -121.49 -37.09 2.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.97 0.415 . . . . 0.0 111.985 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.963 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -74.14 154.11 39.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.987 -179.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 12.0 mmm-85 -138.32 141.63 39.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.449 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . 0.432 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 90.7 m-85 -152.41 148.88 27.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.792 0.329 . . . . 0.0 110.681 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.435 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.0 p -92.92 -18.59 22.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.298 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.0 150.25 22.28 Favored Glycine 0 C--N 1.334 0.433 0 C-N-CA 120.189 -1.005 . . . . 0.0 112.869 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 10.9 p -50.05 -31.1 12.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.634 0.254 . . . . 0.0 111.559 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -73.09 -35.77 66.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.663 0.268 . . . . 0.0 110.648 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 35.5 m -63.45 -42.71 98.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.471 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . 0.463 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -64.34 -37.79 88.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.937 -179.687 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . 0.463 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 7.6 m170 -70.37 -37.36 74.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.784 0.326 . . . . 0.0 111.496 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -52.4 65.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.113 0.482 . . . . 0.0 111.24 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.06 -9.92 57.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.104 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.45 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 9.8 t-105 -45.49 -44.75 12.72 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.544 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.2 OUTLIER -52.86 -43.13 65.85 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.659 0.266 . . . . 0.0 111.489 -179.162 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . 0.497 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 14.1 ptpt -87.17 -45.01 11.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.831 0.348 . . . . 0.0 111.326 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.963 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 62.8 t60 -61.14 -39.97 92.09 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -178.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.554 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 3.9 p80 -54.38 -29.04 47.23 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -178.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . 0.554 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 64.4 m-70 -60.25 -31.62 70.37 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.349 178.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 695' ' ' HIS . 3.1 pt -105.53 -3.56 9.81 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -178.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . 0.44 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . 1.8 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.012 0.434 . . . . 0.0 111.359 -179.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 CA--C 1.529 0.152 0 CA-C-O 120.566 0.222 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B 1105 ' ' PRO . . . . . 0.432 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 39.3 Cg_endo -66.99 149.63 82.8 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.381 2.054 . . . . 0.0 112.371 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.11 171.26 0.39 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.545 2.163 . . . . 0.0 112.168 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.77 158.52 55.39 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.542 2.161 . . . . 0.0 112.453 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 14.1 mt -96.34 145.96 25.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.822 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1109 ' ' ILE . . . . . 0.578 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -115.07 122.89 70.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.888 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 2.0 p -85.26 128.74 34.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . 0.433 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.804 0.335 . . . . 0.0 111.021 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.579 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 6.7 t -64.38 126.21 27.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.449 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.0 m0 -62.43 -21.88 65.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.576 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -101.97 -62.58 1.24 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.597 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.537 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 69.2 m -55.05 -61.46 2.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.612 -179.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.25 24.8 7.74 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.391 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -128.16 -65.48 0.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.837 0.351 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -157.04 152.1 26.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.095 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.579 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -141.93 143.31 33.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.07 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 26.2 t -120.54 -5.54 9.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.691 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -109.74 157.35 19.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.91 0.386 . . . . 0.0 110.443 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . 0.578 ' HB ' HG13 ' B' 1109 ' ' ILE . 54.0 m -132.94 139.43 47.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.424 -178.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.699 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 42.3 t -67.96 106.04 2.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.204 179.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 16.9 p -66.89 -9.91 42.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 112.198 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -78.13 -46.88 8.82 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.369 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 18.6 p -110.87 -13.61 14.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.68 0.276 . . . . 0.0 111.087 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 16.4 m120 60.29 22.65 12.1 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.006 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 99.7 m -121.45 -36.81 3.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.975 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.966 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -74.03 153.99 39.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.891 -179.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -138.3 141.78 39.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.507 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 91.5 m-85 -152.38 148.89 28.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.702 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.419 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.9 p -92.87 -17.96 23.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.448 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.82 149.71 21.68 Favored Glycine 0 C--N 1.334 0.44 0 C-N-CA 120.273 -0.965 . . . . 0.0 112.805 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 17.8 p -49.09 -34.4 13.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.688 0.28 . . . . 0.0 111.45 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -70.51 -35.1 73.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.75 0.31 . . . . 0.0 110.738 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 58.3 m -63.4 -42.55 98.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.479 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . 0.479 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -65.13 -37.92 88.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.966 -179.765 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . 0.479 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 6.7 m170 -70.32 -37.47 74.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.798 0.332 . . . . 0.0 111.289 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.39 -52.4 65.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.06 0.457 . . . . 0.0 111.115 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.98 -10.1 57.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.106 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.449 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 10.1 t-105 -45.56 -43.13 11.74 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.532 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.5 OUTLIER -52.83 -47.74 67.48 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -178.83 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . 0.585 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 0.0 OUTLIER -86.85 -36.77 18.27 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.597 -179.463 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.966 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 61.4 t60 -67.05 -39.4 86.9 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -178.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.568 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 4.6 p80 -54.43 -28.99 47.87 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -178.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . 0.585 ' CD2' ' HA ' ' A' ' 694' ' ' LYS . 64.1 m-70 -60.49 -30.71 69.87 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.37 178.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.9 pt -106.51 -3.55 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -178.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . 0.451 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . 1.8 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.359 . . . . 0.0 111.361 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 18.2 m120 . . . . . 0 CA--C 1.528 0.125 0 CA-C-O 120.616 0.245 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B 1105 ' ' PRO . . . . . 0.478 ' HB3' ' CD2' ' A' ' 692' ' ' TRP . 39.8 Cg_endo -68.14 152.19 76.47 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.432 2.088 . . . . 0.0 112.442 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.25 168.13 0.65 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.344 2.03 . . . . 0.0 111.898 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.52 163.32 38.89 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.47 2.113 . . . . 0.0 112.635 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1108 ' ' LEU . . . . . 0.608 HD11 ' HB3' ' A' ' 688' ' ' GLN . 61.4 mt -98.89 147.8 24.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1109 ' ' ILE . . . . . 0.571 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.2 pt -115.72 122.89 70.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.85 130.85 34.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 77.9 p . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 -179.951 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.811 0.338 . . . . 0.0 111.045 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.506 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 6.9 t -65.29 126.57 28.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.012 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.446 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.6 m0 -64.56 -17.45 63.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.457 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -103.99 -63.39 1.2 Allowed 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.313 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.487 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 92.2 m -55.88 -61.63 2.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.494 -179.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.0 23.51 8.56 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.432 -0.889 . . . . 0.0 112.413 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.02 -62.4 1.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.856 0.36 . . . . 0.0 110.816 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -161.05 153.08 19.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.043 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.506 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.1 143.33 33.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.099 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 2.0 t -119.54 -6.25 10.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.68 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -109.74 157.99 18.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.865 0.364 . . . . 0.0 110.365 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . 0.571 ' HB ' HG13 ' B' 1109 ' ' ILE . 67.3 m -132.51 139.43 47.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.476 -178.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.659 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 43.6 t -67.98 105.66 2.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.212 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 97.2 p -66.41 -10.19 41.31 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.125 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -76.52 -49.31 8.21 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.457 -0.878 . . . . 0.0 112.346 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 23.0 p -109.92 -12.3 14.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.626 0.251 . . . . 0.0 111.102 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 2.8 m120 60.08 23.0 12.22 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.032 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 96.0 m -121.97 -37.12 2.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.918 0.389 . . . . 0.0 112.005 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.958 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.64 156.21 38.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.733 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 45.6 mmm-85 -138.17 142.11 40.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.434 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -151.99 146.95 25.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.785 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.444 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 21.5 p -92.81 -18.64 22.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.377 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.86 150.45 22.52 Favored Glycine 0 C--N 1.334 0.446 0 C-N-CA 120.135 -1.031 . . . . 0.0 112.998 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . 0.427 ' O ' ' HG2' ' A' ' 688' ' ' GLN . 80.5 p -48.8 -33.48 10.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.646 0.26 . . . . 0.0 111.659 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -70.43 -35.09 73.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 110.457 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 14.6 m -64.1 -44.3 92.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.336 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . 0.608 ' HB3' HD11 ' B' 1108 ' ' LEU . 1.5 pt20 -61.67 -42.98 99.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.734 0.302 . . . . 0.0 110.467 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . 0.544 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 17.9 m170 -70.45 -37.19 74.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.28 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.34 -52.34 65.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.329 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.7 -8.21 58.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.949 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.478 ' CD2' ' HB3' ' B' 1105 ' ' PRO . 7.4 t-105 -46.43 -42.93 15.98 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.714 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.541 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.4 OUTLIER -52.89 -47.85 67.59 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -178.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . 0.583 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 0.0 OUTLIER -86.74 -36.43 18.64 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.613 -179.346 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.958 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 78.5 t60 -67.15 -40.04 86.64 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.555 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 4.4 p80 -54.78 -29.25 53.68 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -178.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . 0.583 ' CD2' ' HA ' ' A' ' 694' ' ' LYS . 62.6 m-70 -61.61 -32.05 72.15 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 120.411 -0.516 . . . . 0.0 109.695 178.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.6 mt -90.79 -55.2 6.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.8 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.0 t . . . . . 0 N--CA 1.465 0.276 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.411 -179.264 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 11.2 m-20 . . . . . 0 CA--C 1.529 0.173 0 CA-C-O 120.543 0.211 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B 1105 ' ' PRO . . . . . 0.448 ' HB3' ' CD2' ' A' ' 692' ' ' TRP . 44.0 Cg_endo -68.45 168.86 18.49 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.418 2.079 . . . . 0.0 112.41 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1106 ' ' PRO . . . . . 0.407 ' HG3' ' HA3' ' A' ' 676' ' ' GLY . 50.2 Cg_endo -69.6 171.86 13.53 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.671 2.248 . . . . 0.0 112.266 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.53 156.13 67.38 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.559 2.173 . . . . 0.0 112.476 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 16.3 mt -96.83 146.32 25.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.771 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1109 ' ' ILE . . . . . 0.582 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -114.92 122.98 70.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.866 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.47 129.65 34.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 24.6 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.978 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . 0.448 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.783 0.325 . . . . 0.0 111.015 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.557 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 6.8 t -69.19 126.25 29.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.495 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.8 m0 -62.74 -23.47 67.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.586 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -100.15 -62.9 1.18 Allowed 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.611 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.523 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 64.2 m -54.53 -61.2 2.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.638 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.98 23.43 9.22 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.428 -0.891 . . . . 0.0 112.436 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -126.15 -63.65 1.09 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.695 0.283 . . . . 0.0 110.825 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -159.93 152.17 20.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.996 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.557 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.21 143.45 32.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.21 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.76 -4.86 9.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.758 -179.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -109.68 156.86 19.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.804 0.335 . . . . 0.0 110.488 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . 0.582 ' HB ' HG13 ' B' 1109 ' ' ILE . 68.1 m -133.38 139.51 46.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.535 -178.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.657 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 41.0 t -68.12 106.44 2.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.261 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 20.1 p -67.4 -9.39 41.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.233 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . 0.407 ' HA3' ' HG3' ' B' 1106 ' ' PRO . . . -79.09 -44.45 9.8 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.455 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 18.0 p -112.79 -14.45 13.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.683 0.277 . . . . 0.0 111.107 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 60.61 23.1 12.88 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.936 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 89.3 m -121.88 -37.05 2.91 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.968 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.92 154.43 39.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.9 -179.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -138.3 141.57 39.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.402 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 89.9 m-85 -152.45 148.9 27.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.792 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.438 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.0 p -93.47 -18.22 22.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.524 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.09 150.89 23.01 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.115 -1.041 . . . . 0.0 113.257 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' A' ' 688' ' ' GLN . 2.3 p -51.78 -23.09 4.19 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.919 0.341 . . . . 0.0 111.919 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -80.95 -35.75 31.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.81 0.338 . . . . 0.0 110.657 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 19.1 m -63.61 -44.74 93.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.395 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . 0.459 ' OE1' ' CD2' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -62.0 -40.25 95.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.82 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . 0.459 ' CD2' ' OE1' ' A' ' 688' ' ' GLN . 8.2 m170 -69.63 -37.21 76.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.746 0.308 . . . . 0.0 111.205 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -52.41 65.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.015 0.436 . . . . 0.0 111.338 -179.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.11 -9.58 57.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.043 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.449 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 9.5 t-105 -45.42 -44.27 11.96 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.541 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.8 OUTLIER -52.95 -43.29 66.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.665 0.269 . . . . 0.0 111.467 -179.079 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . 0.494 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 9.8 ptpt -87.04 -44.67 11.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.855 0.359 . . . . 0.0 111.305 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.968 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 63.2 t60 -61.21 -40.13 92.8 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -178.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.551 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 3.8 p80 -54.27 -29.07 45.71 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -178.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . 0.551 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 63.5 m-70 -59.57 -31.33 69.34 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.497 178.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 695' ' ' HIS . 3.2 pt -105.41 -3.75 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -178.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.328 -0.365 0 CA-C-O 121.293 0.568 . . . . 0.0 110.94 -179.191 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 CA--C 1.529 0.16 0 CA-C-O 120.533 0.206 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B 1105 ' ' PRO . . . . . 0.44 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 41.0 Cg_endo -67.33 151.27 80.85 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.386 2.057 . . . . 0.0 112.352 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.82 169.92 0.33 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.571 2.181 . . . . 0.0 112.212 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.64 158.63 55.27 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.557 2.171 . . . . 0.0 112.483 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 46.5 mt -96.46 146.01 25.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1109 ' ' ILE . . . . . 0.567 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.2 pt -114.47 122.89 69.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.958 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.58 128.02 34.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.858 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 97.5 p . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 -179.953 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . 0.471 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.936 0.398 . . . . 0.0 111.005 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.554 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 6.4 t -68.15 126.04 28.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.054 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.466 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.8 m0 -63.15 -20.83 65.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.509 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -102.03 -62.87 1.21 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.543 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.508 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 93.0 m -55.31 -60.87 2.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.596 -179.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 102.31 23.89 8.73 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.447 -0.882 . . . . 0.0 112.43 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.16 -63.91 1.07 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.73 0.3 . . . . 0.0 110.785 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -159.77 152.86 21.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.049 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.554 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.0 143.24 33.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.115 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.25 -6.18 9.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.673 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -109.65 157.9 18.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.809 0.337 . . . . 0.0 110.458 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . 0.567 ' HB ' HG13 ' B' 1109 ' ' ILE . 60.3 m -133.9 139.51 46.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.52 -178.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.631 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 43.3 t -66.83 103.96 1.24 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.048 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 58.8 p -64.83 -10.15 26.01 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.271 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -78.42 -44.27 11.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.408 -0.901 . . . . 0.0 112.455 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 19.6 p -113.57 -13.73 12.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.598 0.237 . . . . 0.0 111.303 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.8 m120 59.66 22.87 11.63 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.745 0.307 . . . . 0.0 110.941 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 97.3 m -121.31 -37.08 2.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.812 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.936 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -75.68 154.7 36.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.594 -179.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -138.27 141.8 39.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.59 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . 0.437 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 91.8 m-85 -152.35 148.52 27.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.698 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.441 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.2 p -93.21 -18.07 22.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.477 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.85 149.93 21.92 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 120.196 -1.002 . . . . 0.0 112.901 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 1.4 p -48.88 -33.84 11.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.661 0.267 . . . . 0.0 111.596 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -70.92 -35.34 72.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.731 0.3 . . . . 0.0 110.642 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 31.0 m -63.31 -44.55 94.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.428 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -64.52 -38.06 89.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.809 -179.728 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . 0.47 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 6.2 m170 -70.4 -37.41 74.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.876 0.369 . . . . 0.0 111.151 179.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -52.23 66.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.079 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.93 -10.17 57.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.042 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.443 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 8.8 t-105 -45.7 -43.53 12.82 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.534 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.6 OUTLIER -52.66 -48.0 66.77 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -178.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . 0.585 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 0.0 OUTLIER -86.8 -36.22 18.67 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.617 -179.312 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.936 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 71.6 t60 -67.67 -39.22 84.52 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.57 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 4.8 p80 -54.67 -28.97 51.19 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -179.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . 0.585 ' CD2' ' HA ' ' A' ' 694' ' ' LYS . 61.8 m-70 -61.73 -31.21 71.36 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.113 178.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 695' ' ' HIS . 0.1 OUTLIER -103.22 -4.33 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -178.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . 0.408 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . 1.8 t . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 121.009 0.433 . . . . 0.0 111.196 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1104 ' ' ASN . . . . . 0.418 ' HA ' ' HD3' ' B' 1105 ' ' PRO . 2.8 m-20 . . . . . 0 CA--C 1.53 0.184 0 CA-C-O 120.432 0.158 . . . . 0.0 110.779 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1105 ' ' PRO . . . . . 0.45 ' HG3' ' CD2' ' A' ' 692' ' ' TRP . 6.1 Cg_exo -77.44 175.74 10.92 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.592 2.195 . . . . 0.0 112.066 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1106 ' ' PRO . . . . . 0.411 ' HG3' ' HA3' ' A' ' 676' ' ' GLY . 61.5 Cg_endo -73.43 170.58 19.58 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.483 2.122 . . . . 0.0 112.165 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.37 155.03 64.79 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.513 2.142 . . . . 0.0 112.367 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 15.6 mt -96.11 145.3 25.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1109 ' ' ILE . . . . . 0.581 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -115.35 122.83 70.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 2.6 p -86.75 131.23 34.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.907 0.384 . . . . 0.0 110.99 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 31.1 p . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -179.954 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . 0.446 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.797 0.332 . . . . 0.0 110.988 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.528 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 6.4 t -67.56 125.88 27.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.46 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.4 m0 -62.91 -20.0 64.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.508 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -103.32 -62.67 1.26 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.558 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.528 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 65.5 m -54.9 -61.14 2.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.535 -179.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 100.91 23.6 9.76 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.379 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -126.1 -58.94 1.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.779 0.323 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.1 OUTLIER -165.98 153.13 9.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.094 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.49 ' HB2' ' CA ' ' A' ' 663' ' ' CYS . . . -143.8 144.46 31.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.185 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.6 m -120.9 -4.31 9.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.728 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.71 157.03 19.53 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.814 0.34 . . . . 0.0 110.47 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . 0.581 ' HB ' HG13 ' B' 1109 ' ' ILE . 99.5 m -132.63 139.51 47.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.452 -178.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.671 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 44.8 t -68.74 107.51 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.286 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 54.0 p -68.29 -9.69 49.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.154 -0.475 . . . . 0.0 112.181 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . 0.411 ' HA3' ' HG3' ' B' 1106 ' ' PRO . . . -76.58 -49.57 7.93 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.236 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 24.2 p -109.79 -12.39 14.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.733 0.301 . . . . 0.0 111.074 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.8 m120 60.22 23.36 12.73 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.05 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 96.4 m -122.37 -36.87 2.88 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.985 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.56 154.4 39.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.74 -179.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -138.25 142.01 39.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.563 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . 0.419 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 91.8 m-85 -152.09 148.9 28.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.337 . . . . 0.0 110.734 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.443 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 21.3 p -92.83 -18.91 22.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.479 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.34 149.33 21.28 Favored Glycine 0 C--N 1.335 0.492 0 C-N-CA 120.229 -0.986 . . . . 0.0 112.826 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 99.6 p -49.45 -34.05 15.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.682 0.277 . . . . 0.0 111.383 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -70.64 -34.85 72.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.672 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 62.9 m -63.62 -41.37 98.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.464 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . 0.474 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -63.74 -37.62 88.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.882 -179.746 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . 0.474 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 10.2 m170 -70.37 -37.43 74.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.82 0.343 . . . . 0.0 111.419 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -52.31 65.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.028 0.442 . . . . 0.0 111.152 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.04 -10.66 56.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.148 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.45 ' CD2' ' HG3' ' B' 1105 ' ' PRO . 9.5 t-105 -45.26 -45.4 11.94 Favored 'General case' 0 N--CA 1.461 0.101 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.547 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.0 OUTLIER -52.83 -42.69 65.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.7 0.286 . . . . 0.0 111.522 -179.157 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . 0.484 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 0.2 OUTLIER -87.01 -44.64 11.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.509 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.985 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 75.0 t60 -61.46 -41.74 97.7 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -178.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.549 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 3.8 p80 -54.55 -29.39 50.85 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -178.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . 0.549 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 70.3 m-70 -60.81 -30.75 70.26 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 178.262 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.6 mt -92.66 -54.11 7.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.888 -178.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.464 0.269 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -179.226 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.598 0.237 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B 1105 ' ' PRO . . . . . 0.483 ' HB3' ' CD2' ' A' ' 692' ' ' TRP . 37.1 Cg_endo -66.96 160.8 45.4 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.419 2.08 . . . . 0.0 112.548 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1106 ' ' PRO . . . . . 0.427 ' HG2' ' HA3' ' A' ' 676' ' ' GLY . 52.9 Cg_exo -54.96 163.33 4.28 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.618 2.212 . . . . 0.0 111.864 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.68 164.72 34.79 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.426 2.084 . . . . 0.0 112.543 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 12.9 mt -100.18 148.44 24.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.04 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1109 ' ' ILE . . . . . 0.564 HG13 ' HB ' ' A' ' 673' ' ' THR . 0.8 OUTLIER -116.0 123.2 71.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.75 179.697 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.43 130.6 35.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.005 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 77.9 p . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.987 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . 0.466 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.743 0.306 . . . . 0.0 110.967 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.531 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 8.4 t -67.39 126.75 30.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.487 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.8 m0 -63.78 -20.02 65.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.669 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -102.67 -63.82 1.13 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.443 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.49 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 89.5 m -54.88 -60.52 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.585 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 100.98 23.98 9.41 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.398 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 17.6 mtp85 -125.49 -61.36 1.27 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.828 0.347 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -163.49 152.46 14.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.037 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.531 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.44 143.62 32.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.177 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 11.5 m -119.89 -4.94 10.12 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.651 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -109.66 157.0 19.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.788 0.328 . . . . 0.0 110.392 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . 0.564 ' HB ' HG13 ' B' 1109 ' ' ILE . 48.7 m -132.91 139.6 47.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.493 -178.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.63 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 44.4 t -67.81 105.54 1.98 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.185 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 45.8 p -66.64 -9.46 36.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.193 -179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . 0.427 ' HA3' ' HG2' ' B' 1106 ' ' PRO . . . -77.39 -47.84 8.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.379 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 26.1 p -111.05 -13.04 14.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.718 0.294 . . . . 0.0 111.055 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 43.6 t30 60.19 24.42 13.76 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.116 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 63.9 m -122.8 -37.52 2.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.936 -179.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.904 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.66 156.06 38.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.789 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -138.23 141.84 39.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.451 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . 0.42 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 90.2 m-85 -152.22 146.84 25.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.637 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.447 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 19.5 p -92.35 -19.79 21.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.249 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.06 150.39 22.43 Favored Glycine 0 C--N 1.334 0.472 0 C-N-CA 120.166 -1.016 . . . . 0.0 112.894 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . 0.43 ' O ' ' HG2' ' A' ' 688' ' ' GLN . 53.8 p -47.63 -37.59 12.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.672 0.272 . . . . 0.0 111.56 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -66.05 -35.08 79.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.805 0.336 . . . . 0.0 110.531 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 14.3 m -64.59 -45.48 86.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.234 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . 0.552 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 1.2 pt20 -61.88 -41.75 98.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.603 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . 0.552 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 18.7 m170 -70.61 -37.2 73.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.371 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -52.36 65.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.976 0.417 . . . . 0.0 111.517 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.75 -7.86 59.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.892 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.483 ' CD2' ' HB3' ' B' 1105 ' ' PRO . 6.2 t-105 -44.88 -45.01 10.05 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.568 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.0 OUTLIER -53.99 -38.39 65.02 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.593 0.235 . . . . 0.0 111.137 -179.561 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . 0.541 ' HG2' ' HG2' ' A' ' 693' ' ' GLU . 8.6 mmpt? -87.28 -49.39 7.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.971 0.415 . . . . 0.0 111.142 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.904 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 40.2 t60 -57.35 -43.74 83.74 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.568 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 3.2 p80 -54.61 -29.02 50.67 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . 0.535 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 67.0 m-70 -60.18 -27.06 66.83 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.299 178.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . 0.525 HD12 ' HA ' ' A' ' 695' ' ' HIS . 0.1 OUTLIER -105.22 -49.21 9.17 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.957 -178.761 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 10.9 t . . . . . 0 N--CA 1.464 0.229 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -179.378 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 25.6 m-20 . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 120.559 0.219 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B 1105 ' ' PRO . . . . . 0.433 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 45.1 Cg_endo -68.49 157.27 62.52 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.482 2.121 . . . . 0.0 112.402 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1106 ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' 1105 ' ' PRO . 49.5 Cg_exo -55.93 172.63 0.53 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.628 2.219 . . . . 0.0 112.19 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.49 160.84 45.79 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.663 2.242 . . . . 0.0 112.541 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1108 ' ' LEU . . . . . 0.714 HD11 ' HG2' ' A' ' 688' ' ' GLN . 56.7 mt -96.98 146.66 24.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1109 ' ' ILE . . . . . 0.577 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -115.69 123.02 70.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.052 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 81.0 p -84.23 128.56 34.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.845 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 82.6 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . 0.467 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.865 0.364 . . . . 0.0 111.053 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.577 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 5.0 t -67.21 125.77 27.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.083 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.481 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.3 m0 -62.87 -22.22 66.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.608 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . 0.401 ' OD1' ' HE2' ' A' ' 690' ' ' LYS . 3.3 t30 -101.8 -62.14 1.3 Allowed 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.518 -179.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.557 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 57.5 m -54.38 -61.45 2.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.529 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.17 24.34 8.02 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.348 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -128.56 -65.81 0.87 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.838 0.351 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -157.12 151.83 25.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.046 0.451 . . . . 0.0 111.22 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.577 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -141.99 143.69 33.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.019 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.59 -5.9 10.23 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -179.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -109.69 158.48 18.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.962 0.41 . . . . 0.0 110.513 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . 0.577 ' HB ' HG13 ' B' 1109 ' ' ILE . 79.3 m -132.39 139.34 48.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.495 -178.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.675 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 39.0 t -67.97 106.02 2.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.208 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 59.8 p -66.57 -10.29 43.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.139 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -75.62 -49.49 9.01 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.267 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 27.8 p -111.31 -11.52 14.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.63 0.252 . . . . 0.0 111.28 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 12.2 m120 60.35 24.6 14.09 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.078 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 96.2 m -122.84 -37.35 2.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.33 -0.395 . . . . 0.0 112.04 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.9 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -74.13 154.69 39.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.789 -179.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -138.23 141.42 39.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.615 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . 0.464 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 92.9 m-85 -152.74 148.36 27.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.571 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.414 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.2 p -91.64 -18.49 23.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.289 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -152.12 152.23 23.98 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.934 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . 0.442 ' O ' ' HG3' ' A' ' 688' ' ' GLN . 4.5 t -52.3 -22.84 4.9 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.641 0.258 . . . . 0.0 111.608 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -75.29 -41.15 57.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.045 0.45 . . . . 0.0 110.205 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . 0.4 ' HA ' ' ND2' ' A' ' 665' ' ' ASN . 18.3 m -63.56 -45.34 90.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.618 -179.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . 0.714 ' HG2' HD11 ' B' 1108 ' ' LEU . 0.0 OUTLIER -61.7 -43.69 98.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.716 0.293 . . . . 0.0 110.544 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . 0.439 ' CD2' ' OE1' ' A' ' 688' ' ' GLN . 4.8 m170 -68.57 -37.02 79.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.137 179.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . 0.405 ' HB3' ' HE2' ' A' ' 690' ' ' LYS . 0.0 OUTLIER -57.47 -52.34 65.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.239 -179.77 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.88 -9.7 57.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.02 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.446 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 11.8 t-105 -45.45 -43.97 11.86 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.563 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.0 OUTLIER -52.91 -41.45 64.43 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.703 0.287 . . . . 0.0 111.313 -179.318 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . 0.46 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 36.6 mtmt -86.97 -47.79 8.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 0.0 111.229 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.9 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 49.8 t60 -57.46 -43.75 84.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.327 -178.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.563 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 3.3 p80 -54.52 -29.14 49.73 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . 0.541 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 58.6 m-70 -60.32 -27.57 67.43 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.092 178.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . 0.567 HD12 ' HA ' ' A' ' 695' ' ' HIS . 0.1 OUTLIER -101.1 -51.17 9.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.773 -178.833 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 8.4 t . . . . . 0 N--CA 1.464 0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.246 -179.282 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 20.1 p-10 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.518 0.199 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B 1105 ' ' PRO . . . . . 0.428 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 53.7 Cg_endo -69.29 171.07 14.59 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.421 2.081 . . . . 0.0 112.388 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.16 171.14 15.46 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.618 2.212 . . . . 0.0 112.328 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.42 156.87 60.7 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.598 2.199 . . . . 0.0 112.459 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 15.8 mt -95.78 145.46 25.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1109 ' ' ILE . . . . . 0.587 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -114.87 122.93 69.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.949 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.71 129.75 35.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 87.3 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.949 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 2.2 t . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.942 0.401 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.598 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 7.1 t -70.34 126.49 29.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.095 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.478 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.1 m0 -63.52 -24.6 67.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.538 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -97.27 -62.58 1.23 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.376 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.53 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 99.4 m -56.17 -59.73 4.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.538 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.84 30.03 5.95 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.409 -0.901 . . . . 0.0 112.386 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -135.47 -71.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.776 0.322 . . . . 0.0 111.127 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 1.6 mmtp -148.34 146.6 28.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.009 0.433 . . . . 0.0 111.461 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.598 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -139.6 142.45 37.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.944 179.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.25 -5.31 9.93 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.861 -179.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -109.69 156.93 19.63 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.815 0.34 . . . . 0.0 110.42 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . 0.587 ' HB ' HG13 ' B' 1109 ' ' ILE . 66.9 m -132.55 139.48 47.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.562 -178.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.648 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 44.1 t -68.13 107.16 2.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.323 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 33.5 p -67.31 -9.31 39.72 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.134 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -77.79 -46.36 9.69 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.36 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 20.0 p -112.39 -13.41 13.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.59 0.233 . . . . 0.0 111.178 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 61.9 t30 60.08 24.15 13.38 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.794 0.33 . . . . 0.0 110.822 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 75.6 m -122.5 -37.4 2.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.969 -179.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.949 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.41 155.43 39.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.796 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -138.28 141.84 39.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.466 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . 0.434 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 90.0 m-85 -152.28 147.48 26.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.695 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.449 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 19.6 p -92.73 -18.75 22.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.432 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.67 149.48 21.42 Favored Glycine 0 C--N 1.335 0.48 0 C-N-CA 120.201 -1.0 . . . . 0.0 112.867 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 2.3 p -48.67 -35.43 13.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.69 0.281 . . . . 0.0 111.413 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -69.68 -34.47 73.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.73 0.3 . . . . 0.0 110.606 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 59.2 m -63.96 -42.24 97.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.451 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . 0.477 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -65.35 -37.81 88.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.957 -179.796 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . 0.477 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 7.8 m170 -70.42 -37.29 74.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.747 0.308 . . . . 0.0 111.427 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -52.57 64.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.17 0.51 . . . . 0.0 111.217 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.05 -9.87 57.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.054 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.445 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 10.2 t-105 -44.99 -44.74 10.13 Favored 'General case' 0 N--CA 1.461 0.095 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.558 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.3 OUTLIER -52.76 -41.52 64.14 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.728 0.299 . . . . 0.0 111.313 -179.363 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . 0.474 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 9.1 mtmt -87.18 -47.74 8.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.298 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.949 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 63.2 t60 -57.41 -43.72 83.99 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -178.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.558 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 3.1 p80 -54.59 -28.98 50.06 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . 0.534 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 56.4 m-70 -59.45 -27.0 65.69 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.082 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . 0.517 HD12 ' HA ' ' A' ' 695' ' ' HIS . 0.1 OUTLIER -103.28 -48.54 10.48 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.669 -179.122 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.7 t . . . . . 0 N--CA 1.464 0.252 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -179.614 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B 1104 ' ' ASN . . . . . 0.402 ' HA ' ' HD2' ' B' 1105 ' ' PRO . 3.4 m-20 . . . . . 0 CA--C 1.529 0.173 0 CA-C-O 120.515 0.198 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1105 ' ' PRO . . . . . 0.524 ' HB3' ' CD2' ' A' ' 692' ' ' TRP . 31.6 Cg_endo -65.85 166.7 19.6 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.383 2.055 . . . . 0.0 112.672 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1106 ' ' PRO . . . . . 0.435 ' HG2' ' HA3' ' A' ' 676' ' ' GLY . 16.4 Cg_exo -67.41 159.22 53.39 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.843 2.362 . . . . 0.0 111.773 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.85 163.09 39.62 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.373 2.048 . . . . 0.0 112.262 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 13.1 mt -99.33 147.13 25.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1109 ' ' ILE . . . . . 0.567 HG13 ' HB ' ' A' ' 673' ' ' THR . 0.7 OUTLIER -116.52 123.24 71.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.815 179.72 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 1.1 p -84.04 127.77 34.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.928 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 43.8 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 179.967 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . 0.489 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 1.2 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.819 0.343 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.538 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 6.0 t -68.55 126.34 29.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.068 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.462 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.8 m0 -63.93 -22.15 66.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.56 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . 0.402 ' OD1' ' HE2' ' A' ' 690' ' ' LYS . 1.9 t30 -100.32 -63.49 1.13 Allowed 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.342 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.516 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 65.8 m -54.72 -61.27 2.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.59 -179.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 102.47 23.9 8.63 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.371 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 -126.69 -63.13 1.09 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.72 0.295 . . . . 0.0 110.842 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -161.02 152.47 19.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.062 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.538 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.23 144.14 33.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.193 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -119.49 -5.71 10.29 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.818 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -109.68 158.58 17.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.851 0.357 . . . . 0.0 110.452 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . 0.567 ' HB ' HG13 ' B' 1109 ' ' ILE . 50.4 m -133.52 139.63 46.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.627 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.627 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 41.1 t -67.43 105.46 1.81 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.139 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 90.8 p -67.24 -9.61 42.31 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -179.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . 0.435 ' HA3' ' HG2' ' B' 1106 ' ' PRO . . . -78.78 -46.11 8.8 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.383 -0.913 . . . . 0.0 112.374 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 21.2 p -110.83 -14.22 14.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.743 0.306 . . . . 0.0 111.005 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.8 m120 60.65 23.16 12.98 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.154 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 95.9 m -122.46 -37.01 2.84 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.963 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -74.51 155.35 38.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.837 -179.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -138.31 141.75 39.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.528 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . 0.41 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 94.4 m-85 -152.37 147.8 26.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.668 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.441 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.6 p -91.88 -19.29 22.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.184 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -151.29 151.23 23.23 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.413 -0.899 . . . . 0.0 112.752 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . 0.416 ' O ' ' HG2' ' A' ' 688' ' ' GLN . 0.3 OUTLIER -49.41 -33.67 14.47 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.817 0.341 . . . . 0.0 111.23 -179.85 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -65.26 -40.79 94.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.934 0.397 . . . . 0.0 110.314 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 19.3 m -63.22 -44.52 95.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.508 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . 0.556 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 1.1 pt20 -61.79 -42.04 98.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.756 0.312 . . . . 0.0 110.534 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . 0.556 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 15.5 m170 -70.51 -37.3 74.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.374 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . 0.402 ' HE2' ' OD1' ' A' ' 665' ' ' ASN . 0.0 OUTLIER -57.29 -52.29 65.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.384 -179.499 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.7 -8.27 58.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.957 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.524 ' CD2' ' HB3' ' B' 1105 ' ' PRO . 6.7 t-105 -45.87 -44.95 14.82 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.765 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.559 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.5 OUTLIER -52.96 -41.33 64.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.761 0.315 . . . . 0.0 111.258 -179.448 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . 0.489 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 10.9 mtmt -87.21 -47.75 8.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.265 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.963 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 74.7 t60 -59.08 -40.93 86.77 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -178.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.559 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 3.7 p80 -54.71 -29.36 53.01 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -178.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . 0.542 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 68.8 m-70 -61.42 -32.27 72.22 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 120.452 -0.499 . . . . 0.0 109.77 178.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.6 mt -91.67 -54.78 6.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.001 -178.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.9 t . . . . . 0 N--CA 1.465 0.314 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -179.301 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 3.3 m-80 . . . . . 0 CA--C 1.529 0.165 0 CA-C-O 120.576 0.227 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B 1105 ' ' PRO . . . . . 0.425 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 40.6 Cg_endo -67.21 152.07 80.14 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.304 2.003 . . . . 0.0 112.226 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.95 171.0 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.527 2.151 . . . . 0.0 112.282 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.48 159.68 50.69 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.587 2.192 . . . . 0.0 112.533 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 88.4 mt -96.4 146.13 25.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1109 ' ' ILE . . . . . 0.576 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -115.71 122.9 70.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.999 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.82 130.45 34.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.95 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 84.6 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.93 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . 0.459 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.855 0.36 . . . . 0.0 111.002 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.553 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 5.4 t -69.31 125.91 28.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.446 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.9 m0 -63.74 -20.92 66.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.49 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -102.17 -62.95 1.2 Allowed 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.44 -179.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.533 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 59.4 m -54.23 -61.88 2.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.527 -179.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.34 22.29 9.26 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.374 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -125.55 -64.93 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.748 0.309 . . . . 0.0 110.769 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -158.65 152.65 23.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.077 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.553 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -141.48 143.09 33.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.103 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.02 -6.11 10.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.782 -179.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -109.69 157.09 19.45 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.868 0.366 . . . . 0.0 110.378 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . 0.576 ' HB ' HG13 ' B' 1109 ' ' ILE . 78.4 m -131.51 139.39 49.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.574 -178.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.619 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 38.7 t -68.43 106.65 2.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.234 179.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 24.9 p -67.05 -9.96 44.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.112 -179.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -76.45 -48.95 8.6 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.27 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 21.5 p -110.68 -12.34 14.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.588 0.233 . . . . 0.0 111.15 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.6 m120 59.84 23.32 12.3 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.014 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 97.2 m -122.35 -37.08 2.85 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.977 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.96 155.02 39.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.641 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -138.28 141.79 39.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.694 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . 0.447 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 91.7 m-85 -152.51 148.53 27.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.749 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.426 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 22.4 p -92.79 -18.22 23.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.312 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -151.54 150.87 22.86 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.396 -0.906 . . . . 0.0 112.75 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . 0.404 ' O ' ' HG3' ' A' ' 688' ' ' GLN . 2.5 p -49.03 -33.82 12.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.84 0.352 . . . . 0.0 111.379 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -66.42 -40.42 89.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.921 0.391 . . . . 0.0 110.522 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 19.8 m -62.86 -45.66 91.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.767 -179.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . 0.5 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -62.78 -39.28 93.73 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.726 -179.815 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . 0.5 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 8.0 m170 -70.44 -37.52 74.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.874 0.369 . . . . 0.0 111.068 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -52.15 66.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.132 0.491 . . . . 0.0 111.03 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 694' ' ' LYS . 0.7 OUTLIER -84.82 -10.35 57.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.983 179.713 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.442 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 8.8 t-105 -45.86 -43.55 13.66 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.649 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.537 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.4 OUTLIER -52.78 -47.97 67.15 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -178.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . 0.591 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 0.0 OUTLIER -86.74 -35.95 18.92 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.669 -179.319 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.977 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 78.6 t60 -67.44 -40.39 85.45 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -179.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.556 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 4.5 p80 -54.72 -29.28 53.0 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -178.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . 0.591 ' CD2' ' HA ' ' A' ' 694' ' ' LYS . 62.1 m-70 -61.23 -32.14 71.93 Favored 'General case' 0 C--O 1.231 0.121 0 C-N-CA 120.367 -0.533 . . . . 0.0 109.613 178.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.9 mt -88.93 -55.83 5.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.633 -179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 N--CA 1.464 0.246 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.476 -179.246 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 8.9 p30 . . . . . 0 CA--C 1.528 0.134 0 CA-C-O 120.413 0.149 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B 1105 ' ' PRO . . . . . 0.441 ' HG3' ' CE2' ' A' ' 692' ' ' TRP . 5.6 Cg_exo -75.95 173.68 14.09 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.494 2.129 . . . . 0.0 112.115 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -73.6 170.71 19.33 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.548 2.166 . . . . 0.0 112.224 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.32 154.98 65.06 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.544 2.163 . . . . 0.0 112.307 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 12.2 mt -96.22 145.57 25.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1109 ' ' ILE . . . . . 0.577 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -115.53 122.93 70.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.802 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.16 131.19 35.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.842 0.353 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 13.4 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.959 179.962 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . 0.444 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.841 0.353 . . . . 0.0 110.999 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.545 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 6.9 t -67.22 126.3 28.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.968 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.474 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.7 m0 -63.41 -21.36 66.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.577 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -101.62 -62.8 1.21 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.418 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.53 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 65.0 m -55.1 -60.99 2.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.592 -179.315 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.82 23.57 9.22 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.446 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -126.28 -64.07 1.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.82 0.343 . . . . 0.0 110.773 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -159.76 152.25 21.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.116 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.545 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.5 143.46 32.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.176 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 30.8 m -120.49 -4.82 9.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.672 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -109.66 155.99 20.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.879 0.371 . . . . 0.0 110.417 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . 0.577 ' HB ' HG13 ' B' 1109 ' ' ILE . 56.3 m -131.44 139.36 49.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.478 -178.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.642 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 39.6 t -68.93 107.02 2.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.322 179.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 54.7 p -67.38 -9.61 43.13 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.123 -0.49 . . . . 0.0 112.139 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -76.37 -49.25 8.42 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.437 -0.887 . . . . 0.0 112.361 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 26.3 p -110.44 -12.22 14.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.665 0.269 . . . . 0.0 111.127 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 4.2 m120 60.16 23.94 13.26 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 120.781 0.324 . . . . 0.0 111.133 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 98.6 m -122.59 -37.11 2.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.93 0.395 . . . . 0.0 112.022 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.964 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.47 155.33 39.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.885 -179.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 41.5 mmm-85 -138.31 141.81 39.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.508 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . 0.418 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 91.2 m-85 -152.08 148.16 27.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.608 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.443 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.8 p -92.97 -19.14 21.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.409 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.13 149.12 21.06 Favored Glycine 0 C--N 1.333 0.39 0 C-N-CA 120.139 -1.029 . . . . 0.0 112.813 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 20.0 p -49.07 -34.22 13.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.662 0.267 . . . . 0.0 111.362 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -70.23 -35.48 73.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.54 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 58.7 m -62.88 -42.17 99.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.44 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . 0.481 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -63.37 -37.63 88.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.931 -179.746 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . 0.481 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 10.4 m170 -70.46 -37.54 74.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.866 0.365 . . . . 0.0 111.561 179.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -52.26 66.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.061 0.458 . . . . 0.0 111.295 -179.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.09 -10.67 56.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.083 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.441 ' CE2' ' HG3' ' B' 1105 ' ' PRO . 8.5 t-105 -44.2 -46.46 8.92 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.569 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.1 OUTLIER -53.94 -37.82 64.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.643 0.259 . . . . 0.0 110.984 -179.696 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . 0.521 ' HG2' ' HG2' ' A' ' 693' ' ' GLU . 0.2 OUTLIER -87.25 -50.6 6.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.016 0.436 . . . . 0.0 111.163 179.551 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.964 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 65.0 t60 -57.59 -43.14 84.41 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -178.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.569 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 3.1 p80 -54.38 -29.23 47.91 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . 0.537 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 72.9 m-70 -60.99 -30.41 70.26 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 178.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.5 mt -94.79 -53.93 7.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.906 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.463 0.217 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -179.289 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 13.0 m120 . . . . . 0 CA--C 1.528 0.134 0 CA-C-O 120.526 0.203 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B 1105 ' ' PRO . . . . . 0.447 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 39.3 Cg_endo -67.14 148.35 80.79 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.401 2.067 . . . . 0.0 112.372 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1106 ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' 1105 ' ' PRO . 51.1 Cg_exo -54.15 170.69 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.569 2.179 . . . . 0.0 112.159 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.54 160.35 49.78 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.553 2.169 . . . . 0.0 112.471 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1108 ' ' LEU . . . . . 0.489 HD11 ' HG2' ' A' ' 688' ' ' GLN . 17.6 mt -97.15 146.43 25.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1109 ' ' ILE . . . . . 0.575 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.2 pt -114.46 122.91 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.833 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.15 127.62 34.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.932 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 75.4 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.913 179.912 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . 0.449 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.908 0.385 . . . . 0.0 110.968 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.566 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 7.8 t -69.74 126.48 29.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.111 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.486 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.3 m0 -63.03 -23.5 67.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.62 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . 0.403 ' OD1' ' HE2' ' A' ' 690' ' ' LYS . 4.1 t30 -99.78 -62.87 1.18 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.537 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.518 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.5 m -54.91 -60.48 3.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.545 -179.217 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.54 23.87 9.18 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.459 -0.877 . . . . 0.0 112.446 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.8 -65.14 0.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.807 0.336 . . . . 0.0 110.824 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -158.04 151.51 23.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.566 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.01 143.36 33.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.236 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.4 p -120.62 -5.39 9.74 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.733 -179.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -109.67 157.35 19.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.909 0.385 . . . . 0.0 110.344 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . 0.575 ' HB ' HG13 ' B' 1109 ' ' ILE . 71.1 m -134.37 139.55 45.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.583 -178.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.604 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 44.1 t -66.41 103.79 1.1 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.113 179.393 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 82.9 p -65.04 -10.1 27.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.154 -0.475 . . . . 0.0 112.156 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -78.49 -43.6 12.21 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.437 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 23.2 p -114.12 -14.07 12.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.701 0.286 . . . . 0.0 111.372 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.7 m120 60.14 23.69 12.99 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.091 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 78.6 m -121.96 -37.64 2.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.911 0.386 . . . . 0.0 111.984 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.92 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -75.04 155.11 37.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.74 -179.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -138.15 141.75 40.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.537 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . 0.46 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 89.6 m-85 -152.49 148.65 27.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.659 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.444 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.0 p -93.51 -18.94 21.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.392 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.57 150.38 22.46 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.164 -1.017 . . . . 0.0 113.144 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . 0.411 ' O ' ' HG3' ' A' ' 688' ' ' GLN . 4.6 p -51.12 -23.84 3.54 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -179.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -79.52 -35.66 39.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.358 . . . . 0.0 110.54 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 16.6 m -64.19 -45.58 87.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.228 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . 0.489 ' HG2' HD11 ' B' 1108 ' ' LEU . 0.0 OUTLIER -61.71 -42.49 99.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.767 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . 0.447 ' CD2' ' OE1' ' A' ' 688' ' ' GLN . 1.7 m170 -68.84 -36.94 78.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.288 179.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . 0.403 ' HE2' ' OD1' ' A' ' 665' ' ' ASN . 0.0 OUTLIER -57.29 -52.37 65.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.012 0.434 . . . . 0.0 111.252 -179.625 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.98 -9.83 57.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.112 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.447 ' CE2' ' HB3' ' B' 1105 ' ' PRO . 10.5 t-105 -45.59 -44.19 12.77 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.556 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.7 OUTLIER -52.9 -41.67 64.6 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.733 0.301 . . . . 0.0 111.343 -179.342 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . 0.479 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 50.1 mtmt -87.13 -47.68 8.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.932 0.396 . . . . 0.0 111.283 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.92 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 55.2 t60 -57.4 -42.84 83.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.392 -178.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.556 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 3.7 p80 -54.71 -28.83 50.77 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -178.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . 0.549 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 65.1 m-70 -61.29 -24.87 66.72 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.46 178.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . 0.4 ' CD1' ' HA ' ' A' ' 695' ' ' HIS . 0.1 OUTLIER -113.32 -6.02 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -178.577 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . 0.413 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . 2.5 t . . . . . 0 C--N 1.326 -0.433 0 CA-C-O 120.84 0.352 . . . . 0.0 111.057 -179.667 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 28.4 m-80 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.515 0.197 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B 1105 ' ' PRO . . . . . 0.434 ' HB3' ' CD2' ' A' ' 692' ' ' TRP . 49.5 Cg_endo -69.04 152.64 73.03 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.438 2.092 . . . . 0.0 112.348 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.16 168.86 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.525 2.15 . . . . 0.0 112.205 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.78 159.37 53.64 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.577 2.185 . . . . 0.0 112.418 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 7.1 mp -96.23 145.88 25.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.751 179.907 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B 1109 ' ' ILE . . . . . 0.589 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -115.98 123.01 70.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.02 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.95 128.11 34.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 81.8 p . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.984 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . 0.475 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 1.4 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.779 0.323 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.519 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 5.8 t -66.82 125.89 27.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -179.749 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.466 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.6 m0 -63.69 -20.09 65.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.381 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -102.05 -63.01 1.19 Allowed 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.487 -179.533 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.519 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 81.9 m -55.66 -60.8 2.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.642 -179.36 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.22 25.03 8.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.442 -0.885 . . . . 0.0 112.362 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -127.55 -60.06 1.19 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.895 0.378 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.5 OUTLIER -164.49 152.99 12.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.489 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -143.4 144.28 31.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.131 179.865 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.15 -4.32 10.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.721 -179.722 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -109.62 158.07 18.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.898 0.38 . . . . 0.0 110.429 179.723 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . 0.589 ' HB ' HG13 ' B' 1109 ' ' ILE . 79.4 m -133.01 139.28 47.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.436 -178.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.714 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 44.6 t -68.84 107.33 3.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.319 179.62 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 24.8 p -67.81 -9.92 48.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.152 -179.528 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -75.49 -50.72 7.91 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.197 179.894 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 26.7 p -109.92 -11.41 14.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.655 0.264 . . . . 0.0 111.127 179.543 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 7.1 m120 60.31 24.09 13.55 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.081 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 91.7 m -122.53 -37.12 2.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.033 -179.169 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.97 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -72.56 155.53 39.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.879 -179.367 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -138.4 142.0 39.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.493 179.503 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . 0.443 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 89.2 m-85 -152.06 147.59 26.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 110.815 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.446 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 19.8 p -92.3 -19.31 22.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.065 179.839 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.25 149.49 21.38 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 120.415 -0.897 . . . . 0.0 112.58 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 84.8 p -47.58 -39.0 15.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.743 0.306 . . . . 0.0 111.345 -179.799 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -64.14 -35.98 82.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.756 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 17.2 m -64.01 -42.66 97.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.877 0.37 . . . . 0.0 110.883 -179.715 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . 0.443 ' HA ' ' CZ ' ' A' ' 682' ' ' TYR . 0.0 OUTLIER -61.69 -44.8 96.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.174 -179.951 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . 0.429 ' HA ' ' HB2' ' A' ' 692' ' ' TRP . 12.9 m170 -68.56 -37.16 79.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.46 -179.86 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -52.44 65.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.051 0.453 . . . . 0.0 111.281 -179.547 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.08 -9.44 57.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.013 179.644 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.448 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 11.4 t-105 -45.75 -44.37 13.76 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.435 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.559 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.0 OUTLIER -52.83 -41.71 64.46 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.723 0.297 . . . . 0.0 111.345 -179.322 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . 0.478 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 22.2 mtmt -87.08 -47.45 8.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.365 . . . . 0.0 111.357 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.97 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 71.7 t60 -58.58 -42.3 87.73 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.459 0.541 . . . . 0.0 112.459 -178.711 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.559 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 3.4 p80 -54.62 -29.12 51.16 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.907 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . 0.544 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 66.8 m-70 -60.78 -30.42 70.03 Favored 'General case' 0 C--O 1.231 0.13 0 C-N-CA 120.516 -0.473 . . . . 0.0 109.759 178.125 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.2 mt -94.0 -54.0 7.74 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.798 -178.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.9 t . . . . . 0 N--CA 1.463 0.224 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.248 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 21.4 m-80 . . . . . 0 CA--C 1.529 0.161 0 CA-C-O 120.515 0.198 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B 1105 ' ' PRO . . . . . 0.491 ' HB3' ' CD2' ' A' ' 692' ' ' TRP . 30.9 Cg_endo -65.56 172.33 8.14 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.402 2.068 . . . . 0.0 112.498 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B 1106 ' ' PRO . . . . . 0.426 ' HG3' ' HA3' ' A' ' 676' ' ' GLY . 60.0 Cg_endo -71.99 162.87 40.55 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.547 2.165 . . . . 0.0 111.889 179.463 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.67 163.64 38.27 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.353 2.036 . . . . 0.0 112.488 -179.84 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 18.5 mt -99.85 148.18 24.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.026 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B 1109 ' ' ILE . . . . . 0.579 HG13 ' HB ' ' A' ' 673' ' ' THR . 0.8 OUTLIER -115.89 123.13 70.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.797 179.757 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 1.5 p -80.71 128.77 34.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 57.0 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.947 179.972 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . 0.473 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.832 0.349 . . . . 0.0 110.988 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.528 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 8.7 t -67.58 127.12 31.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.974 -179.872 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.48 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.2 m0 -63.4 -23.31 67.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.521 -179.785 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -99.47 -63.0 1.16 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.481 -179.469 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.528 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 90.2 m -54.92 -61.06 2.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.479 -179.414 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.55 24.83 8.5 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.357 -0.925 . . . . 0.0 112.523 -179.9 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 1.1 mmt-85 -127.58 -62.33 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.747 0.308 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -161.35 152.5 18.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.925 0.393 . . . . 0.0 111.103 179.954 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.517 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -143.32 144.18 31.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.111 179.807 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.74 -5.28 10.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.674 -179.592 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -109.71 158.53 18.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.836 0.35 . . . . 0.0 110.403 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . 0.579 ' HB ' HG13 ' B' 1109 ' ' ILE . 78.5 m -135.45 139.55 44.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.546 -178.894 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.639 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 45.4 t -65.95 102.63 0.81 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.172 179.536 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 84.3 p -64.74 -10.17 25.59 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.208 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . 0.426 ' HA3' ' HG3' ' B' 1106 ' ' PRO . . . -78.94 -44.0 10.49 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.459 -0.877 . . . . 0.0 112.45 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 22.2 p -112.61 -14.22 13.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.717 0.294 . . . . 0.0 111.166 179.781 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 60.55 23.43 13.13 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.09 -179.828 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 68.0 m -121.86 -37.75 2.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.93 0.395 . . . . 0.0 112.01 -179.168 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.919 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -74.97 156.03 36.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.861 -179.321 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 30.0 mmm-85 -138.24 141.87 39.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.333 179.477 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 88.5 m-85 -152.21 147.22 26.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.66 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.449 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 19.2 p -92.49 -19.9 21.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.242 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.82 150.24 22.28 Favored Glycine 0 C--N 1.333 0.411 0 C-N-CA 120.275 -0.964 . . . . 0.0 112.836 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . 0.434 ' O ' ' HG2' ' A' ' 688' ' ' GLN . 93.1 p -46.85 -40.13 13.32 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.741 0.305 . . . . 0.0 111.515 -179.73 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -63.87 -34.56 78.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.749 0.309 . . . . 0.0 110.518 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 14.2 m -64.99 -46.31 81.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.116 -179.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . 0.548 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 1.2 pt20 -61.93 -41.43 97.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.593 -179.845 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . 0.548 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 18.5 m170 -70.63 -37.07 73.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.467 179.706 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -52.47 65.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.018 0.437 . . . . 0.0 111.507 -179.368 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -84.85 -8.43 58.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.029 179.835 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.491 ' CD2' ' HB3' ' B' 1105 ' ' PRO . 7.2 t-105 -45.41 -44.71 12.28 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -179.456 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.552 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.1 OUTLIER -53.02 -41.41 64.67 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.754 0.311 . . . . 0.0 111.337 -179.418 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . 0.485 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 41.1 mtmt -87.16 -47.75 8.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.211 -179.899 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.919 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 53.0 t60 -57.47 -42.04 81.82 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -178.559 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.556 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 4.2 p80 -54.66 -28.85 50.25 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.927 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . 0.556 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 70.7 m-70 -61.67 -24.98 67.11 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.574 178.527 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.72 -6.33 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -178.366 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.325 -0.458 0 CA-C-O 120.858 0.361 . . . . 0.0 111.058 -179.653 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B 1104 ' ' ASN . . . . . 0.448 ' HA ' ' HD3' ' B' 1105 ' ' PRO . 79.2 m-20 . . . . . 0 CA--C 1.528 0.126 0 CA-C-O 120.42 0.152 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B 1105 ' ' PRO . . . . . 0.457 ' HG3' ' CD1' ' A' ' 692' ' ' TRP . 6.2 Cg_exo -76.64 171.03 18.76 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.519 2.146 . . . . 0.0 112.273 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B 1106 ' ' PRO . . . . . 0.411 ' HG3' ' HA3' ' A' ' 676' ' ' GLY . 73.3 Cg_endo -76.02 170.32 20.32 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.603 2.202 . . . . 0.0 112.144 179.83 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.83 155.67 61.96 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.483 2.122 . . . . 0.0 112.433 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B 1108 ' ' LEU . . . . . 0.406 HD23 ' HA ' ' B' 1108 ' ' LEU . 31.6 mt -95.62 145.41 25.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.787 179.897 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B 1109 ' ' ILE . . . . . 0.582 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -114.74 122.89 69.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.925 179.756 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 39.0 p -87.44 128.88 35.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 51.4 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.979 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . 0.433 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.791 0.329 . . . . 0.0 110.931 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.586 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 7.7 t -68.23 126.86 30.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 -179.8 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.498 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.0 m0 -62.56 -26.66 68.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.495 -179.894 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -96.53 -62.77 1.22 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.517 -179.374 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.564 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 63.8 m -54.68 -61.0 2.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.508 -179.344 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.19 24.77 7.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.373 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.76 -70.23 0.65 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.797 0.332 . . . . 0.0 110.935 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 11.6 mmtp -150.75 149.75 30.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.07 0.462 . . . . 0.0 111.357 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.586 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -141.67 143.41 33.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.89 179.615 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.77 -4.32 9.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.768 -179.497 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.73 157.26 19.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.906 0.384 . . . . 0.0 110.421 179.849 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . 0.582 ' HB ' HG13 ' B' 1109 ' ' ILE . 58.4 m -133.52 139.49 46.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.484 -178.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.67 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 40.7 t -68.36 107.21 2.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.271 179.482 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 83.8 p -68.16 -9.42 46.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 112.219 -179.273 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . 0.411 ' HA3' ' HG3' ' B' 1106 ' ' PRO . . . -79.05 -45.03 9.27 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.452 -0.88 . . . . 0.0 112.412 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 17.4 p -111.95 -14.3 13.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.712 0.292 . . . . 0.0 111.053 179.755 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 3.1 m120 60.82 22.65 12.68 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.973 -179.809 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 100.0 m -122.04 -36.74 2.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.918 0.39 . . . . 0.0 111.991 -179.121 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.963 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -74.18 154.0 39.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.057 -179.266 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -138.31 141.78 39.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.396 179.457 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . 0.421 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 91.0 m-85 -152.32 148.99 28.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.779 0.323 . . . . 0.0 110.721 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.433 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.7 p -92.64 -18.58 22.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.33 -179.86 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.55 149.93 21.86 Favored Glycine 0 C--N 1.334 0.433 0 C-N-CA 120.25 -0.976 . . . . 0.0 112.734 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 8.9 p -48.0 -39.27 19.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.742 0.306 . . . . 0.0 111.44 -179.778 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -66.21 -34.36 77.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.768 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 67.0 m -63.76 -41.9 97.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.685 0.279 . . . . 0.0 111.395 -179.372 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . 0.489 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -65.29 -36.91 85.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.959 -179.691 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . 0.489 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 8.8 m170 -70.59 -37.36 73.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.621 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -52.38 65.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.041 0.448 . . . . 0.0 111.394 -179.432 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.14 -10.33 56.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.182 179.808 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.457 ' CD1' ' HG3' ' B' 1105 ' ' PRO . 9.7 t-105 -44.68 -45.16 9.58 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.361 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.542 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.3 OUTLIER -53.0 -41.2 64.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.708 0.289 . . . . 0.0 111.3 -179.284 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . 0.49 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 32.0 mtmt -87.3 -47.84 8.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.975 0.416 . . . . 0.0 111.318 179.839 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.963 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 60.6 t60 -59.23 -40.7 86.71 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -178.452 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.551 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 3.7 p80 -54.24 -29.12 45.47 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -178.533 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . 0.551 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 68.2 m-70 -59.98 -30.42 69.1 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.436 178.586 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 695' ' ' HIS . 3.3 pt -106.61 -3.44 9.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -178.532 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 121.083 0.468 . . . . 0.0 110.858 -179.175 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 29.0 m120 . . . . . 0 CA--C 1.529 0.144 0 CA-C-O 120.543 0.211 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B 1105 ' ' PRO . . . . . 0.43 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 41.8 Cg_endo -67.58 148.78 79.03 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.432 2.088 . . . . 0.0 112.286 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B 1106 ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' 1105 ' ' PRO . 51.5 Cg_exo -54.4 170.86 0.48 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.485 2.123 . . . . 0.0 112.223 179.908 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.91 158.8 54.49 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.521 2.148 . . . . 0.0 112.422 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 8.5 mt -96.05 145.36 25.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B 1109 ' ' ILE . . . . . 0.581 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -115.62 122.93 70.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.886 179.86 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.68 129.66 34.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 21.5 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.99 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . 0.408 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.865 0.364 . . . . 0.0 110.832 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.562 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 5.6 t -70.42 126.08 28.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.202 -179.778 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.466 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.3 m0 -63.33 -25.56 68.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.375 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -96.36 -62.65 1.24 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.435 -179.468 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.562 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.2 m -55.4 -60.94 2.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.445 -179.325 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.82 24.29 7.8 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.41 -0.9 . . . . 0.0 112.428 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -129.31 -73.99 0.56 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.767 0.318 . . . . 0.0 110.849 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 18.1 mmmt -146.56 149.18 33.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.034 0.445 . . . . 0.0 111.478 -179.836 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.552 ' HB2' ' CA ' ' A' ' 663' ' ' CYS . . . -140.42 142.57 35.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.989 179.537 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.7 m -120.54 -5.14 9.79 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.785 -179.519 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -109.67 156.99 19.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.926 0.393 . . . . 0.0 110.465 179.844 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . 0.581 ' HB ' HG13 ' B' 1109 ' ' ILE . 88.4 m -132.17 139.4 48.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.456 -178.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.689 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 39.5 t -69.16 107.29 3.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.345 179.558 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 20.7 p -67.32 -9.76 44.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.16 -179.385 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -75.99 -49.85 8.28 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.3 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 25.7 p -110.32 -11.8 14.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.713 0.292 . . . . 0.0 111.136 179.537 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 60.24 23.63 13.02 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.984 -179.895 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 94.0 m -122.39 -36.76 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.871 0.367 . . . . 0.0 111.948 -179.208 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.989 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.18 154.13 40.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.784 -179.407 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -138.27 141.95 39.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.539 179.617 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . 0.427 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 91.6 m-85 -152.22 149.3 28.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.799 0.333 . . . . 0.0 110.672 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.438 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 21.1 p -93.29 -19.03 21.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.425 -179.818 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.23 149.22 21.16 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 120.246 -0.978 . . . . 0.0 112.8 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 1.8 p -47.33 -40.02 16.24 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.7 0.286 . . . . 0.0 111.423 -179.853 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -66.2 -33.62 76.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.72 179.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 68.0 m -63.74 -43.02 97.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.522 -179.399 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . 0.486 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -65.4 -37.44 86.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.824 -179.716 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . 0.486 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 8.5 m170 -70.4 -37.24 74.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 0.0 111.319 179.789 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -52.18 66.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.089 0.471 . . . . 0.0 111.109 -179.609 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.99 -10.0 57.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.04 179.747 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.448 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 9.2 t-105 -45.73 -44.62 13.86 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 111.782 0.289 . . . . 0.0 111.782 -179.497 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.556 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.1 OUTLIER -52.82 -43.1 65.72 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.622 0.249 . . . . 0.0 111.487 -179.216 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . 0.486 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 11.0 ptpt -87.0 -44.7 11.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.383 -179.758 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.989 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 77.1 t60 -60.75 -41.86 96.25 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -178.791 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.556 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 3.9 p80 -54.59 -29.27 51.1 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -178.837 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . 0.548 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 66.6 m-70 -60.45 -31.12 70.12 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.097 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.7 mt -92.14 -53.98 7.96 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.782 -179.036 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 N--CA 1.464 0.263 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.254 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 CA--C 1.529 0.143 0 CA-C-O 120.481 0.182 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B 1105 ' ' PRO . . . . . 0.475 ' HB3' ' CD2' ' A' ' 692' ' ' TRP . 40.8 Cg_endo -68.4 149.4 74.99 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.361 2.041 . . . . 0.0 112.462 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B 1106 ' ' PRO . . . . . 0.432 ' HG2' ' HA3' ' A' ' 676' ' ' GLY . 53.8 Cg_exo -52.42 168.02 0.48 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.541 2.161 . . . . 0.0 111.931 179.668 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -74.04 164.57 34.1 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.454 2.103 . . . . 0.0 112.635 -179.727 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B 1108 ' ' LEU . . . . . 0.523 HD21 ' HB2' ' A' ' 682' ' ' TYR . 6.5 mp -98.63 147.03 25.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.196 -179.787 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B 1109 ' ' ILE . . . . . 0.577 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -116.31 123.04 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.638 179.481 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B 1110 ' ' SER . . . . . . . . . . . . . 2.7 p -84.17 131.51 34.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.851 0.358 . . . . 0.0 110.997 -179.839 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B 1111 ' ' SER . . . . . . . . . . . . . 46.9 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.959 179.974 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . 0.419 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.891 0.377 . . . . 0.0 110.974 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 663' ' ' CYS . . . . . 0.534 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 6.9 t -65.67 126.66 29.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.041 -179.772 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 664' ' ' TRP . . . . . 0.466 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.1 m0 -63.79 -22.12 66.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.335 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -98.77 -63.34 1.13 Allowed 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.271 -179.644 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.523 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 84.2 m -55.62 -61.07 2.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.526 -179.383 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 104.06 25.78 6.97 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.37 -0.919 . . . . 0.0 112.452 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 15.0 ttt85 -130.87 -71.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.664 0.269 . . . . 0.0 111.006 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 4.2 mmtp -149.2 150.14 32.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.036 0.446 . . . . 0.0 111.473 -179.911 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 670' ' ' ALA . . . . . 0.534 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -141.49 143.06 33.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.952 179.543 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.36 -5.6 10.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.75 -179.482 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 672' ' ' GLU . . . . . 0.422 ' HB2' HD23 ' B' 1108 ' ' LEU . 1.3 mm-40 -109.76 158.96 17.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.785 0.326 . . . . 0.0 110.43 179.873 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 673' ' ' THR . . . . . 0.577 ' HB ' HG13 ' B' 1109 ' ' ILE . 58.5 m -133.62 139.45 46.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.497 -178.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 674' ' ' CYS . . . . . 0.709 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 43.7 t -68.11 106.37 2.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.255 179.507 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 86.7 p -67.12 -9.9 44.5 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.111 -179.352 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 676' ' ' GLY . . . . . 0.432 ' HA3' ' HG2' ' B' 1106 ' ' PRO . . . -76.08 -50.27 7.82 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.394 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 25.6 p -109.24 -11.8 14.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.645 0.26 . . . . 0.0 111.125 179.411 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.7 m120 60.41 23.62 13.19 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.075 -179.887 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 98.3 m -122.67 -36.78 2.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.962 0.41 . . . . 0.0 112.021 -179.235 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 680' ' ' ALA . . . . . 0.969 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.56 155.39 39.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.847 -179.46 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -138.31 141.94 39.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.376 179.482 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 682' ' ' TYR . . . . . 0.523 ' HB2' HD21 ' B' 1108 ' ' LEU . 89.3 m-85 -152.09 147.6 26.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.707 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.446 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.4 p -92.81 -18.91 22.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.347 -179.85 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.66 150.94 23.02 Favored Glycine 0 C--N 1.335 0.495 0 C-N-CA 120.138 -1.029 . . . . 0.0 112.948 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 685' ' ' SER . . . . . 0.449 ' O ' ' HG2' ' A' ' 688' ' ' GLN . 25.8 p -48.47 -36.05 14.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.724 0.297 . . . . 0.0 111.635 -179.754 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -67.75 -34.56 77.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.849 0.357 . . . . 0.0 110.476 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 15.2 m -64.69 -45.32 87.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.319 -179.769 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 688' ' ' GLN . . . . . 0.514 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 1.8 pt20 -61.89 -42.11 98.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.578 -179.859 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 689' ' ' HIS . . . . . 0.514 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 15.4 m170 -70.5 -37.26 74.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.331 179.643 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -52.47 65.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.311 -179.508 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.74 -8.31 58.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.943 179.769 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 692' ' ' TRP . . . . . 0.48 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 7.0 t-105 -45.77 -44.15 13.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.753 -179.532 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . 0.558 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.1 OUTLIER -53.06 -41.63 65.01 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.767 0.318 . . . . 0.0 111.359 -179.481 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 694' ' ' LYS . . . . . 0.489 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 22.0 mtmm -87.02 -47.6 8.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.917 0.389 . . . . 0.0 111.344 -179.889 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 695' ' ' HIS . . . . . 0.969 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 72.8 t60 -59.12 -41.0 87.17 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -178.595 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 696' ' ' HIS . . . . . 0.558 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 3.6 p80 -54.72 -29.4 53.24 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -178.585 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 697' ' ' HIS . . . . . 0.546 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 69.4 m-70 -61.66 -31.69 71.81 Favored 'General case' 0 C--N 1.333 -0.111 0 C-N-CA 120.431 -0.508 . . . . 0.0 109.865 178.396 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.7 mt -92.22 -54.97 6.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.983 -178.81 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.2 t . . . . . 0 N--CA 1.464 0.263 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 -179.243 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.889 0.376 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B 1102 ' ' ILE . . . . . 0.573 HD13 ' HA ' ' A' ' 693' ' ' GLU . 21.4 mt -137.45 160.56 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.951 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1103 ' ' SER . . . . . 0.499 ' N ' HG22 ' B' 1102 ' ' ILE . 0.3 OUTLIER -55.42 -173.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.981 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -103.36 113.56 65.61 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1105 ' ' PRO . . . . . 0.428 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 44.9 Cg_endo -68.16 155.64 68.73 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.46 2.107 . . . . 0.0 112.282 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -52.07 168.77 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.576 2.184 . . . . 0.0 112.282 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.02 158.35 56.89 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.538 2.159 . . . . 0.0 112.475 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 12.1 mt -97.26 145.98 25.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1109 ' ' ILE . . . . . 0.573 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -113.93 122.92 69.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.95 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.3 127.57 38.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.84 0.352 . . . . 0.0 110.824 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 36.9 t -113.29 145.94 40.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.475 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -175.89 132.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 7.7 mmmm . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.797 179.96 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 10.4 t70 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.845 0.355 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.4 m -171.49 -43.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 25.0 p -97.49 -32.24 11.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.982 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -92.65 91.41 7.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . 0.442 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -174.19 133.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.574 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 5.9 t -66.3 125.79 26.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.452 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.4 m0 -63.64 -20.99 66.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.505 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -101.35 -63.6 1.13 Allowed 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.357 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.515 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.1 m -55.06 -61.36 2.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.543 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.4 23.95 8.14 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.539 -0.838 . . . . 0.0 112.42 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -127.22 -65.79 0.92 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.725 0.297 . . . . 0.0 110.837 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -157.0 151.97 26.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.14 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.574 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -141.35 143.05 33.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.128 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 16.0 p -119.78 -6.12 10.13 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.694 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 682' ' ' TYR . 4.8 mm-40 -109.68 157.88 18.65 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.887 0.375 . . . . 0.0 110.347 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . 0.573 ' HB ' HG13 ' B' 1109 ' ' ILE . 53.6 m -132.36 139.55 48.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.499 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.655 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 41.4 t -68.78 106.09 2.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.239 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 24.7 p -66.41 -9.85 37.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.182 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -75.67 -50.94 7.54 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.455 -0.878 . . . . 0.0 112.275 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 24.4 p -108.92 -11.75 14.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.714 0.293 . . . . 0.0 111.127 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 59.86 23.59 12.59 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.927 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 95.8 m -122.26 -37.05 2.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.981 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.976 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.91 155.41 38.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.769 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 16.0 mmm-85 -138.32 141.73 39.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.482 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . 0.435 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 91.2 m-85 -152.3 148.45 27.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.565 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.459 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.3 p -93.37 -18.02 22.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.446 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.37 150.07 22.04 Favored Glycine 0 C--N 1.334 0.452 0 C-N-CA 120.186 -1.006 . . . . 0.0 112.998 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.65 -32.12 12.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.634 0.254 . . . . 0.0 111.519 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -72.48 -35.55 68.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.765 0.317 . . . . 0.0 110.618 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 35.8 m -63.03 -42.93 99.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.429 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -65.02 -37.7 88.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.87 -179.742 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . 0.46 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 5.6 m170 -70.31 -37.89 74.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.801 0.334 . . . . 0.0 111.357 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -52.3 65.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.87 -10.24 57.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.144 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.455 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 8.8 t-105 -44.95 -45.19 10.34 Favored 'General case' 0 N--CA 1.461 0.113 0 N-CA-C 111.857 0.318 . . . . 0.0 111.857 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.573 ' HA ' HD13 ' B' 1102 ' ' ILE . 0.4 OUTLIER -52.86 -41.12 64.0 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.788 0.328 . . . . 0.0 111.413 -179.496 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . 0.474 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 16.3 mtmt -87.14 -47.7 8.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.39 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.976 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 75.6 t60 -59.0 -42.09 89.22 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.561 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 3.5 p80 -54.63 -29.3 51.76 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . 0.547 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 70.6 m-70 -60.71 -30.73 70.13 Favored 'General case' 0 C--N 1.334 -0.067 0 C-N-CA 120.495 -0.482 . . . . 0.0 109.721 178.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.5 mt -93.56 -53.74 8.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.816 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.4 t -37.52 149.69 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 90.47 -19.94 40.92 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.997 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 61.78 167.54 0.11 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.788 0.328 . . . . 0.0 110.849 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 2.5 m 60.11 97.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 1.6 mp -63.91 148.08 50.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -74.52 99.54 3.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -136.74 -62.29 0.65 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.037 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -92.34 118.19 30.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.793 0.33 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B 1102 ' ' ILE . . . . . 0.496 HD13 ' HA ' ' A' ' 693' ' ' GLU . 21.1 mt -147.78 159.8 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1103 ' ' SER . . . . . 0.483 ' N ' HG22 ' B' 1102 ' ' ILE . 3.2 t -69.88 -172.39 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -99.32 115.23 65.84 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1105 ' ' PRO . . . . . 0.442 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 37.9 Cg_endo -66.52 171.18 11.04 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.458 2.106 . . . . 0.0 112.348 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1106 ' ' PRO . . . . . 0.406 ' HG3' ' HA3' ' A' ' 676' ' ' GLY . 63.6 Cg_endo -73.73 170.59 19.67 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.685 2.257 . . . . 0.0 112.369 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.67 156.27 61.28 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.559 2.173 . . . . 0.0 112.397 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 16.1 mt -96.26 145.75 25.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.781 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1109 ' ' ILE . . . . . 0.581 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -115.46 122.92 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.006 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.87 127.76 35.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 20.2 p -123.11 116.22 23.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -162.15 90.39 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 8.0 mmtp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.901 0.381 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 93.9 p -67.41 82.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 68.4 p -105.77 123.77 48.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.6 112.77 24.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.83 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . 0.437 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -169.69 132.73 1.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.993 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.545 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 5.7 t -68.47 125.46 26.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.035 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.46 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.6 m0 -63.48 -20.32 65.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.481 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -102.37 -62.5 1.26 Allowed 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.455 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.525 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 67.7 m -55.71 -60.25 3.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.64 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 102.43 19.17 14.51 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.464 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -121.39 -66.44 1.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.784 0.326 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -157.43 152.61 25.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.157 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.545 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.09 143.22 32.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.135 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 3.2 m -120.75 -4.91 9.69 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.753 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -109.75 156.42 20.33 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.815 0.34 . . . . 0.0 110.379 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . 0.581 ' HB ' HG13 ' B' 1109 ' ' ILE . 52.5 m -131.21 139.52 49.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.55 -178.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.642 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 41.3 t -69.34 107.72 3.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.233 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 83.0 p -67.73 -9.84 47.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.108 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . 0.406 ' HA3' ' HG3' ' B' 1106 ' ' PRO . . . -76.28 -49.21 8.56 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.311 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 25.6 p -110.7 -12.19 14.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.618 0.247 . . . . 0.0 111.075 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 3.2 m120 59.99 23.87 13.02 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.996 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 97.4 m -122.59 -37.02 2.83 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.971 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.07 155.27 39.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.759 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -138.2 141.81 40.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.544 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . 0.429 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 90.5 m-85 -152.34 148.07 27.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.612 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.448 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.8 p -92.66 -18.96 22.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.409 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -148.92 148.7 20.35 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 120.214 -0.993 . . . . 0.0 112.746 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 7.1 t -49.25 -33.45 12.81 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.711 0.291 . . . . 0.0 111.355 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -70.7 -35.39 72.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.805 0.336 . . . . 0.0 110.516 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 58.5 m -63.1 -42.24 99.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.406 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . 0.48 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -64.99 -37.14 86.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.853 -179.741 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . 0.48 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 8.5 m170 -70.47 -37.4 74.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.783 0.325 . . . . 0.0 111.396 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -52.36 65.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.132 0.491 . . . . 0.0 111.211 -179.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.06 -10.11 57.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.101 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.442 ' CE2' ' HB3' ' B' 1105 ' ' PRO . 9.1 t-105 -45.18 -45.56 11.62 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.578 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.2 OUTLIER -53.03 -40.47 63.94 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.737 0.303 . . . . 0.0 111.193 -179.331 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . 0.525 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 43.6 mtmt -87.09 -48.22 8.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.897 0.379 . . . . 0.0 111.321 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.971 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 75.4 t60 -58.13 -41.59 84.02 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -178.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.578 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 3.1 p80 -54.63 -29.45 52.11 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -178.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . 0.545 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 62.3 m-70 -60.85 -31.85 71.28 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.389 -0.525 . . . . 0.0 109.768 178.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.8 mt -91.12 -54.6 7.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.872 -178.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.5 t -36.95 156.07 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 62.45 34.71 90.23 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.58 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -124.66 114.69 19.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.876 0.369 . . . . 0.0 110.821 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 4.4 t -132.02 176.81 8.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . 0.791 HD13 ' OE1' ' A' ' 706' ' ' GLN . 2.0 mt -98.56 168.0 10.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -95.01 -30.64 14.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -161.7 152.87 18.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.126 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . 0.791 ' OE1' HD13 ' A' ' 703' ' ' LEU . 2.7 tp60 -157.67 161.16 38.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.846 -179.949 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.889 0.376 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B 1102 ' ' ILE . . . . . 0.501 HG22 ' N ' ' B' 1103 ' ' SER . 3.0 mt -72.53 160.25 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.009 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1103 ' ' SER . . . . . 0.501 ' N ' HG22 ' B' 1102 ' ' ILE . 8.6 t -55.71 -176.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.028 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -92.63 109.21 37.18 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.957 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1105 ' ' PRO . . . . . 0.482 ' HB3' ' CD2' ' A' ' 692' ' ' TRP . 29.3 Cg_endo -64.89 171.97 7.85 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.382 2.055 . . . . 0.0 112.363 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1106 ' ' PRO . . . . . 0.434 ' HG3' ' HA3' ' A' ' 676' ' ' GLY . 59.3 Cg_endo -71.87 163.58 38.4 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.647 2.231 . . . . 0.0 111.89 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 161.29 46.49 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.38 2.053 . . . . 0.0 112.362 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1108 ' ' LEU . . . . . 0.43 ' HB3' ' HB3' ' A' ' 672' ' ' GLU . 10.3 mt -99.63 148.14 24.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.048 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1109 ' ' ILE . . . . . 0.571 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.0 OUTLIER -115.29 123.16 70.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.785 179.814 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.45 129.64 34.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.021 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 46.4 p -125.09 109.61 13.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -165.95 160.87 17.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.056 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.53 0.174 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.63 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.819 0.342 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.6 m -98.44 33.21 2.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 1.2 m -143.24 125.0 15.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 61.79 80.73 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.041 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . 0.446 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -176.97 135.17 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.846 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.553 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 6.0 t -69.26 126.55 30.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.219 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.488 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.1 m0 -63.17 -26.28 68.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.522 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . 0.404 ' OD1' ' HE2' ' A' ' 690' ' ' LYS . 1.7 t30 -96.97 -62.68 1.22 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.4 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.551 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 64.1 m -54.9 -60.63 3.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.492 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.13 22.77 8.97 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.347 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.46 -72.36 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.695 0.283 . . . . 0.0 110.852 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 8.1 mmtt -150.12 150.17 31.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.079 0.466 . . . . 0.0 111.373 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.553 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -140.72 143.08 34.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.987 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 26.1 t -118.79 -6.1 10.6 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . 0.43 ' HB3' ' HB3' ' B' 1108 ' ' LEU . 4.3 mm-40 -109.72 159.92 16.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.8 0.333 . . . . 0.0 110.493 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . 0.571 ' HB ' HG13 ' B' 1109 ' ' ILE . 52.9 m -135.02 139.74 45.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.592 -178.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.697 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 45.5 t -66.8 104.53 1.35 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.169 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 86.4 p -66.73 -9.77 40.0 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . 0.434 ' HA3' ' HG3' ' B' 1106 ' ' PRO . . . -79.32 -45.5 8.75 Favored Glycine 0 C--N 1.33 0.22 0 C-N-CA 120.432 -0.89 . . . . 0.0 112.523 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 12.5 p -110.1 -14.63 14.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.806 0.336 . . . . 0.0 110.959 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 4.6 m120 60.85 22.16 12.26 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.057 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 79.0 m -121.85 -37.1 2.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.909 0.385 . . . . 0.0 111.982 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.978 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.99 155.41 38.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.933 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -138.34 141.42 39.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.343 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . 0.417 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 95.2 m-85 -152.57 147.62 26.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.827 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.44 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 18.7 p -91.76 -19.84 22.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.167 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -152.26 152.39 24.11 Favored Glycine 0 C--N 1.334 0.471 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.838 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . 0.444 ' O ' ' HG2' ' A' ' 688' ' ' GLN . 83.5 p -49.69 -33.12 14.92 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.808 0.337 . . . . 0.0 111.324 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -65.03 -41.39 95.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.952 0.406 . . . . 0.0 110.241 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 21.1 m -63.61 -45.09 91.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.469 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . 0.486 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 1.7 pt20 -61.82 -42.89 99.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.742 0.306 . . . . 0.0 110.562 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . 0.486 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 17.9 m170 -70.37 -37.29 74.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.392 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . 0.404 ' HE2' ' OD1' ' A' ' 665' ' ' ASN . 0.0 OUTLIER -57.32 -52.58 64.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.006 0.432 . . . . 0.0 111.423 -179.302 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.85 -8.41 58.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.044 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.483 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 7.6 t-105 -45.44 -44.63 12.33 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.55 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.6 OUTLIER -52.99 -41.82 64.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.791 0.329 . . . . 0.0 111.328 -179.489 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . 0.484 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 12.5 mtmm -87.3 -47.74 8.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.042 0.449 . . . . 0.0 111.099 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.978 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 60.3 t60 -58.8 -40.19 83.35 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -178.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.55 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 3.7 p80 -54.39 -28.82 46.04 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -178.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . 0.541 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 65.5 m-70 -60.29 -32.22 70.99 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.588 178.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.2 pt -106.59 -3.74 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -178.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . 0.404 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . 1.8 t -62.68 101.58 0.27 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.938 0.399 . . . . 0.0 111.271 -179.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -48.33 -26.36 4.86 Favored Glycine 0 CA--C 1.519 0.296 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.827 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -55.07 101.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 111.054 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 68.9 m -134.98 111.86 10.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.821 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.75 -36.1 5.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -85.07 57.4 4.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -149.5 139.91 22.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -107.87 -67.44 0.96 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 90.4 m . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.802 0.334 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B 1102 ' ' ILE . . . . . 0.588 HD13 ' HA ' ' A' ' 693' ' ' GLU . 16.7 mt -146.54 158.79 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1103 ' ' SER . . . . . 0.453 ' N ' HG22 ' B' 1102 ' ' ILE . 34.4 m -71.66 174.76 6.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.999 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1104 ' ' ASN . . . . . 0.485 ' HA ' ' HD3' ' B' 1105 ' ' PRO . 12.5 m-20 -86.8 127.29 60.6 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.689 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1105 ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' B' 1104 ' ' ASN . 2.3 Cg_endo -82.95 151.75 14.33 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.564 2.176 . . . . 0.0 112.092 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -52.1 168.53 0.37 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.523 2.149 . . . . 0.0 112.166 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -69.43 160.67 48.89 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.603 2.202 . . . . 0.0 112.45 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1108 ' ' LEU . . . . . 0.474 HD11 ' HG2' ' A' ' 688' ' ' GLN . 19.8 mt -97.44 146.91 24.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.845 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1109 ' ' ILE . . . . . 0.572 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.1 pt -114.22 122.93 69.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.933 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 4.8 p -84.12 133.61 34.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 47.4 p -126.99 121.77 32.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -167.6 154.69 8.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 4.2 mttp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.969 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.799 0.333 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.4 m -59.5 -35.34 73.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 1.3 t -113.63 159.36 19.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -157.85 112.35 2.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.955 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . 0.447 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 13.2 p -175.95 138.28 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.578 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 8.0 t -69.36 127.14 31.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.053 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.49 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.5 m0 -63.17 -26.69 68.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.553 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -96.46 -62.62 1.24 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.52 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.539 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 69.7 m -55.07 -60.55 3.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.48 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 102.79 24.85 7.9 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -129.22 -70.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.64 0.257 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 11.2 mmtp -150.8 149.35 29.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.017 0.437 . . . . 0.0 111.423 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.578 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -140.49 142.83 35.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.961 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 6.9 m -119.67 -5.53 10.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.735 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -109.68 159.14 17.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.877 0.37 . . . . 0.0 110.446 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . 0.572 ' HB ' HG13 ' B' 1109 ' ' ILE . 86.0 m -135.49 139.55 44.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.511 -178.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.628 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 41.8 t -66.44 103.56 1.07 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.126 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 79.3 p -65.2 -10.06 28.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.184 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -78.54 -43.96 11.54 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.429 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 22.7 p -113.49 -14.14 12.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.662 0.268 . . . . 0.0 111.267 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 60.48 23.49 13.13 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.049 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 80.3 m -122.08 -37.45 2.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.916 0.388 . . . . 0.0 111.933 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.938 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -75.19 155.21 37.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.819 -179.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -138.3 141.79 39.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.5 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . 0.452 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 90.0 m-85 -152.32 148.02 27.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.6 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.461 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 19.7 p -92.85 -18.27 23.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.458 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.37 150.9 23.0 Favored Glycine 0 C--N 1.334 0.444 0 C-N-CA 120.155 -1.021 . . . . 0.0 113.258 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' A' ' 688' ' ' GLN . 19.0 p -51.8 -22.78 3.94 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . 0.406 ' CE2' ' SG ' ' A' ' 687' ' ' CYS . 38.0 p90 -81.32 -34.72 31.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.77 0.319 . . . . 0.0 110.566 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . 0.406 ' SG ' ' CE2' ' A' ' 686' ' ' PHE . 16.3 m -64.27 -43.89 93.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.252 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . 0.474 ' HG2' HD11 ' B' 1108 ' ' LEU . 0.0 OUTLIER -61.62 -42.36 98.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.732 -179.842 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . 0.453 ' CD2' ' OE1' ' A' ' 688' ' ' GLN . 1.4 m170 -68.63 -37.15 79.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.482 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -52.38 65.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.064 0.459 . . . . 0.0 111.225 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.24 -10.31 56.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.054 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.433 ' CD2' ' HG3' ' B' 1105 ' ' PRO . 11.7 t-105 -45.41 -44.18 11.83 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.588 ' HA ' HD13 ' B' 1102 ' ' ILE . 0.2 OUTLIER -52.96 -41.52 64.62 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.657 0.265 . . . . 0.0 111.392 -179.291 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . 0.478 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 3.9 mtmm -87.13 -47.68 8.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.911 0.386 . . . . 0.0 111.232 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.938 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 57.1 t60 -57.41 -43.09 83.44 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.553 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 4.0 p80 -54.55 -28.79 48.23 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -178.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . 0.551 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 65.7 m-70 -60.97 -24.99 66.52 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.391 178.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.33 -6.04 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -178.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . 0.408 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . 2.1 t -69.73 133.65 47.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.865 0.364 . . . . 0.0 111.012 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 62.25 26.64 68.01 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.518 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -167.3 89.52 0.33 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.838 0.351 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . 0.466 HG22 ' H ' ' A' ' 703' ' ' LEU . 0.2 OUTLIER -107.16 175.65 5.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . 0.466 ' H ' HG22 ' A' ' 702' ' ' THR . 4.3 tp -160.04 -45.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -135.3 149.18 49.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -100.59 119.75 39.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.02 -45.08 1.73 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.931 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 14.4 p . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.851 0.358 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B 1102 ' ' ILE . . . . . 0.483 HG22 ' N ' ' B' 1103 ' ' SER . 22.8 mt -140.41 159.61 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1103 ' ' SER . . . . . 0.483 ' N ' HG22 ' B' 1102 ' ' ILE . 2.7 t -63.33 171.97 2.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -87.45 118.59 70.06 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.817 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1105 ' ' PRO . . . . . 0.427 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 37.7 Cg_endo -65.97 171.66 9.65 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.401 2.067 . . . . 0.0 112.404 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1106 ' ' PRO . . . . . 0.405 ' HG3' ' HA3' ' A' ' 676' ' ' GLY . 58.3 Cg_endo -71.94 170.91 17.71 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.701 2.267 . . . . 0.0 112.319 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.65 156.57 60.77 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.61 2.206 . . . . 0.0 112.395 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 20.4 mt -96.44 145.83 25.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.803 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1109 ' ' ILE . . . . . 0.575 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -116.08 122.99 70.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 36.4 p -81.49 129.7 34.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 61.1 p -127.12 112.03 14.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -134.45 85.48 2.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 16.0 mtmt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.791 0.329 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 2.2 m -98.66 36.31 1.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 50.5 m -86.6 130.37 34.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 61.24 111.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . 0.484 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.3 OUTLIER -173.56 128.56 0.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.046 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.535 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 5.7 t -65.95 125.82 26.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.006 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.475 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.9 m0 -63.14 -20.16 65.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.48 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -103.22 -62.67 1.26 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.457 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.519 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 68.7 m -55.44 -60.43 3.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.645 -179.122 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.55 23.46 9.46 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.437 -0.887 . . . . 0.0 112.405 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.42 -62.01 1.23 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.748 0.309 . . . . 0.0 110.838 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -163.12 153.17 15.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.104 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.535 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.46 143.86 32.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.175 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 60.7 m -120.64 -4.89 9.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.672 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -109.66 157.99 18.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.822 0.344 . . . . 0.0 110.454 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . 0.575 ' HB ' HG13 ' B' 1109 ' ' ILE . 61.9 m -133.22 139.46 47.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.569 -178.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.656 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 39.1 t -68.94 106.94 2.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.165 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 85.4 p -67.12 -9.73 42.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.16 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . 0.405 ' HA3' ' HG3' ' B' 1106 ' ' PRO . . . -76.49 -48.75 8.8 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.473 -0.87 . . . . 0.0 112.303 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 25.1 p -110.99 -12.39 14.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.632 0.253 . . . . 0.0 111.166 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.4 m120 60.17 23.68 13.0 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.75 0.31 . . . . 0.0 110.965 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 97.2 m -122.28 -37.06 2.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.927 0.394 . . . . 0.0 112.013 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.988 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.58 154.78 39.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.721 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -138.28 141.73 39.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.521 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . 0.431 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 91.0 m-85 -152.36 148.52 27.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.695 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.436 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.0 p -93.0 -18.55 22.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.409 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.55 149.32 21.25 Favored Glycine 0 C--N 1.334 0.417 0 C-N-CA 120.237 -0.982 . . . . 0.0 112.887 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 8.6 t -50.12 -30.66 11.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.709 0.29 . . . . 0.0 111.534 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -73.42 -35.46 65.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.759 0.314 . . . . 0.0 110.49 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 40.9 m -63.44 -42.22 98.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.391 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -64.95 -37.51 87.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.864 -179.756 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . 0.458 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 6.5 m170 -70.43 -37.39 74.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.797 0.332 . . . . 0.0 111.43 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -52.5 65.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.128 0.49 . . . . 0.0 111.226 -179.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.01 -10.08 57.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.105 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.439 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 9.7 t-105 -45.09 -45.31 11.0 Favored 'General case' 0 CA--C 1.527 0.083 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.56 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.3 OUTLIER -52.89 -40.87 63.84 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.762 0.315 . . . . 0.0 111.281 -179.518 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . 0.478 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 42.1 mtmt -87.18 -47.9 8.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.414 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.988 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 78.2 t60 -59.29 -41.52 89.13 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.56 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 3.4 p80 -54.59 -29.36 51.33 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . 0.546 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 72.8 m-70 -61.11 -31.56 71.25 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.464 -0.495 . . . . 0.0 109.689 178.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.7 mt -90.92 -54.75 7.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.737 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.6 t -36.17 155.08 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 66.39 35.15 89.76 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.526 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -159.97 85.64 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.812 0.339 . . . . 0.0 110.823 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 3.4 p -60.09 150.9 28.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 1.8 mp -98.84 140.34 33.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.6 171.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -136.09 -48.64 0.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.093 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -153.66 75.23 1.03 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.937 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 81.4 m . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.827 0.346 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B 1102 ' ' ILE . . . . . 0.501 HG22 ' N ' ' B' 1103 ' ' SER . 3.7 mt -94.34 160.22 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1103 ' ' SER . . . . . 0.501 ' N ' HG22 ' B' 1102 ' ' ILE . 6.3 t -56.98 159.99 3.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.833 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -75.72 112.97 22.46 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.033 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1105 ' ' PRO . . . . . 0.453 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 32.6 Cg_endo -65.01 172.05 7.88 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.364 2.043 . . . . 0.0 112.354 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1106 ' ' PRO . . . . . 0.421 ' HG3' ' HA3' ' A' ' 676' ' ' GLY . 71.9 Cg_endo -74.62 170.02 21.24 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.668 2.245 . . . . 0.0 112.302 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.16 156.67 59.08 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.514 2.143 . . . . 0.0 112.315 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1108 ' ' LEU . . . . . 0.704 HD11 ' HG2' ' A' ' 688' ' ' GLN . 45.6 mt -96.45 145.75 25.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1109 ' ' ILE . . . . . 0.578 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -115.62 123.01 70.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 78.6 p -83.47 128.42 34.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 66.5 p -122.3 117.4 26.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -158.58 65.75 0.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 22.6 mtmm . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.794 0.33 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 29.5 m -107.39 31.41 5.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.98 136.37 9.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -128.42 117.49 21.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . 0.468 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -171.88 130.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.062 179.871 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.564 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 5.1 t -65.14 125.64 25.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.159 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.504 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.4 m0 -62.25 -20.94 64.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.563 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . 0.402 ' OD1' ' HE2' ' A' ' 690' ' ' LYS . 3.2 t30 -103.92 -61.99 1.36 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.574 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.537 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 58.8 m -54.69 -61.37 2.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.633 -179.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 102.66 24.08 8.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.289 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.24 -62.84 1.08 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.691 0.282 . . . . 0.0 110.932 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -161.23 152.71 19.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.96 0.41 . . . . 0.0 111.22 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.564 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.6 143.96 32.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.04 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.3 m -120.46 -5.11 9.83 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -109.67 158.51 18.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.867 0.365 . . . . 0.0 110.546 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . 0.578 ' HB ' HG13 ' B' 1109 ' ' ILE . 86.8 m -133.87 139.51 46.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.585 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.667 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 42.4 t -68.2 106.57 2.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.209 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 84.3 p -67.85 -9.33 43.77 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . 0.421 ' HA3' ' HG3' ' B' 1106 ' ' PRO . . . -79.15 -45.23 9.06 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.451 -0.88 . . . . 0.0 112.423 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 19.2 p -111.64 -14.7 13.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.775 0.321 . . . . 0.0 111.087 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 3.2 m120 60.87 22.85 12.92 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.014 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 94.3 m -121.74 -36.97 2.94 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.968 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.93 154.37 39.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.971 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -138.29 141.31 39.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.417 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . 0.453 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 91.7 m-85 -152.87 148.89 27.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.73 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 18.7 p -92.24 -18.81 22.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.264 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -151.92 152.26 24.03 Favored Glycine 0 C--N 1.334 0.465 0 C-N-CA 120.372 -0.918 . . . . 0.0 112.98 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . 0.445 ' O ' ' HG3' ' A' ' 688' ' ' GLN . 4.3 t -53.0 -22.11 5.27 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 120.599 0.238 . . . . 0.0 111.55 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -75.96 -41.43 51.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.006 0.431 . . . . 0.0 110.15 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 18.4 m -63.08 -44.97 94.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.609 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . 0.704 ' HG2' HD11 ' B' 1108 ' ' LEU . 0.0 OUTLIER -61.73 -42.31 98.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.621 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . 0.456 ' CD2' ' OE1' ' A' ' 688' ' ' GLN . 1.9 m170 -69.05 -37.21 78.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.821 0.343 . . . . 0.0 111.209 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . 0.402 ' HE2' ' OD1' ' A' ' 665' ' ' ASN . 0.0 OUTLIER -57.25 -52.53 64.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.245 -179.605 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.98 -9.02 58.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.08 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.462 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 8.3 t-105 -45.11 -44.54 10.59 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.543 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.7 OUTLIER -52.89 -42.07 64.96 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.816 0.341 . . . . 0.0 111.282 -179.362 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . 0.491 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 20.5 mtmm -87.32 -47.27 8.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.895 0.378 . . . . 0.0 111.254 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.968 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 59.5 t60 -59.4 -40.03 85.33 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.549 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 3.8 p80 -54.26 -29.07 45.68 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -178.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . 0.549 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 65.2 m-70 -60.35 -32.2 71.03 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.481 178.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . 0.477 HD11 ' HD1' ' A' ' 695' ' ' HIS . 3.1 pt -105.34 -3.76 9.78 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -178.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . 0.423 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . 1.8 t -63.49 101.4 0.33 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.955 0.407 . . . . 0.0 111.28 -179.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -46.9 -27.02 3.13 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.754 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 65.42 116.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.79 0.328 . . . . 0.0 111.021 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 1.6 m 59.77 160.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.977 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -98.08 -176.84 3.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 63.87 163.45 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -70.93 156.47 39.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.048 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -176.91 156.29 1.32 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 10.9 tm0? . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.882 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.803 0.335 . . . . 0.0 111.268 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B 1102 ' ' ILE . . . . . 0.404 HD11 ' HB2' ' A' ' 693' ' ' GLU . 5.2 mp 60.24 -82.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.316 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1103 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -150.64 -175.55 5.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.774 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 15.6 m120 -96.76 105.21 21.82 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1105 ' ' PRO . . . . . 0.462 ' HB3' ' CZ2' ' A' ' 692' ' ' TRP . 56.6 Cg_endo -70.91 159.27 53.08 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.513 2.142 . . . . 0.0 112.431 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -55.89 173.18 0.43 Allowed 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.617 2.211 . . . . 0.0 112.187 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -73.84 160.08 44.04 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.617 2.211 . . . . 0.0 112.645 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1108 ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 673' ' ' THR . 7.0 mt -95.54 144.92 25.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.704 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1109 ' ' ILE . . . . . 0.576 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -114.77 122.87 69.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.978 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 53.2 p -90.32 129.9 36.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 93.3 p -124.18 119.45 29.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -160.71 92.07 0.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.84 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 2.3 t0 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.856 0.36 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.5 m -150.65 79.87 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 1.4 m -95.0 -30.7 13.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -96.29 77.45 3.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -169.35 132.29 1.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 6.2 t -68.24 125.78 27.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.012 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.482 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 16.1 m0 -63.39 -20.15 65.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.522 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -102.59 -62.82 1.22 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.503 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.516 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 65.6 m -55.39 -61.11 2.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.644 -179.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.22 22.58 10.45 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.352 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.77 -60.37 1.38 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.845 0.355 . . . . 0.0 110.819 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -164.41 152.98 12.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.496 ' HB2' ' CA ' ' A' ' 663' ' ' CYS . . . -143.02 143.68 31.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.232 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.4 m -120.16 -5.07 9.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.687 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -109.69 157.61 18.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.878 0.37 . . . . 0.0 110.512 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . 0.576 ' HB ' HG13 ' B' 1109 ' ' ILE . 65.7 m -131.8 139.42 48.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.45 -178.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.707 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 44.3 t -69.13 107.04 3.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.237 179.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 27.0 p -67.43 -10.24 49.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.017 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -74.39 -53.33 6.81 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.137 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 28.0 p -107.89 -10.56 15.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.687 0.279 . . . . 0.0 111.118 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 29.5 m120 60.29 23.81 13.25 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.096 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 97.3 m -122.64 -36.99 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.973 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -72.92 154.95 40.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.802 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -138.33 141.81 39.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.392 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . 0.446 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 90.6 m-85 -152.34 148.46 27.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.728 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.434 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 21.4 p -92.09 -19.44 22.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.21 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.5 149.96 21.9 Favored Glycine 0 C--N 1.334 0.434 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.538 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 1.4 p -47.81 -39.04 17.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.668 0.27 . . . . 0.0 111.4 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -64.34 -36.36 83.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 38.7 m -64.05 -44.07 93.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.882 0.373 . . . . 0.0 111.122 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . 0.516 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -62.9 -40.6 98.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.658 -179.835 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . 0.516 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 8.7 m170 -69.91 -37.02 75.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.359 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -52.23 66.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.124 0.488 . . . . 0.0 111.187 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.9 -9.81 57.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.0 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.482 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 7.8 t-105 -45.26 -44.86 11.59 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.62 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.567 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.5 OUTLIER -52.89 -41.58 64.5 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.796 0.331 . . . . 0.0 111.245 -179.55 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . 0.488 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 3.6 mtmm -87.07 -48.08 8.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.235 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.973 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 69.0 t60 -57.54 -42.02 82.1 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -178.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.567 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 3.6 p80 -54.74 -29.09 52.73 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -178.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . 0.546 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 68.1 m-70 -61.06 -31.59 71.24 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.537 -0.465 . . . . 0.0 109.823 178.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.6 mt -92.58 -54.92 6.69 Favored 'Isoleucine or valine' 0 C--O 1.231 0.104 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.919 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.3 t -38.94 159.26 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -179.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 61.98 36.54 93.02 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.642 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -139.24 33.0 2.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.843 0.354 . . . . 0.0 110.855 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 77.0 p -122.79 158.19 30.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . 0.59 HD13 ' H ' ' A' ' 704' ' ' GLN . 0.2 OUTLIER 62.23 150.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . 0.59 ' H ' HD13 ' A' ' 703' ' ' LEU . 0.0 OUTLIER -152.2 113.09 4.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.99 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -133.74 -46.72 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.0 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -145.44 126.58 14.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.962 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.809 -179.95 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.812 0.339 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B 1102 ' ' ILE . . . . . 0.572 HD13 ' HA ' ' A' ' 693' ' ' GLU . 21.3 mt -139.99 159.67 26.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.085 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1103 ' ' SER . . . . . 0.484 ' N ' HG22 ' B' 1102 ' ' ILE . 3.0 m -64.75 175.97 1.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 2.0 m120 -92.55 114.77 63.41 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1105 ' ' PRO . . . . . 0.429 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 38.1 Cg_endo -66.75 157.88 58.92 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.385 2.056 . . . . 0.0 112.347 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1106 ' ' PRO . . . . . 0.401 ' HG2' ' HA3' ' A' ' 676' ' ' GLY . 51.0 Cg_exo -53.43 170.21 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.659 2.239 . . . . 0.0 112.219 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.67 158.71 54.98 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.587 2.192 . . . . 0.0 112.528 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 10.5 mt -96.59 145.95 25.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1109 ' ' ILE . . . . . 0.58 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -114.86 122.93 69.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.802 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.59 128.93 34.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.84 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 83.3 p -120.75 125.61 48.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -167.15 118.7 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 42.1 mttt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.822 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.809 0.338 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 34.4 t -137.27 -69.07 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 75.4 p -160.4 161.51 33.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.96 109.93 22.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -174.52 133.93 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.551 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 7.4 t -66.82 125.88 27.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.032 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.472 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.3 m0 -62.28 -23.4 66.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.604 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -100.48 -62.49 1.23 Allowed 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.578 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.53 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 64.1 m -55.06 -61.23 2.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.592 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 102.08 24.09 8.73 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.401 -0.904 . . . . 0.0 112.377 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.71 -64.28 1.03 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 0.0 110.821 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -159.32 152.0 21.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.057 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.551 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.19 143.47 32.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.141 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.7 m -120.27 -5.03 9.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.72 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -109.7 157.52 19.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.902 0.382 . . . . 0.0 110.416 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . 0.58 ' HB ' HG13 ' B' 1109 ' ' ILE . 68.0 m -133.65 139.46 46.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.445 -178.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.67 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 42.8 t -67.88 106.08 2.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.19 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 22.8 p -67.44 -9.6 43.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.121 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . 0.401 ' HA3' ' HG2' ' B' 1106 ' ' PRO . . . -78.51 -46.53 8.76 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.409 -0.9 . . . . 0.0 112.432 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 17.9 p -110.89 -14.08 14.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.734 0.302 . . . . 0.0 111.106 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 60.73 22.52 12.45 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.953 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 94.7 m -121.49 -37.09 2.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.97 0.415 . . . . 0.0 111.985 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.963 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -74.14 154.11 39.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.987 -179.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 12.0 mmm-85 -138.32 141.63 39.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.449 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . 0.432 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 90.7 m-85 -152.41 148.88 27.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.792 0.329 . . . . 0.0 110.681 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.435 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.0 p -92.92 -18.59 22.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.298 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.0 150.25 22.28 Favored Glycine 0 C--N 1.334 0.433 0 C-N-CA 120.189 -1.005 . . . . 0.0 112.869 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 10.9 p -50.05 -31.1 12.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.634 0.254 . . . . 0.0 111.559 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -73.09 -35.77 66.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.663 0.268 . . . . 0.0 110.648 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 35.5 m -63.45 -42.71 98.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.471 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . 0.463 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -64.34 -37.79 88.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.937 -179.687 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . 0.463 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 7.6 m170 -70.37 -37.36 74.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.784 0.326 . . . . 0.0 111.496 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -52.4 65.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.113 0.482 . . . . 0.0 111.24 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.06 -9.92 57.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.104 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.45 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 9.8 t-105 -45.49 -44.75 12.72 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.572 ' HA ' HD13 ' B' 1102 ' ' ILE . 0.2 OUTLIER -52.86 -43.13 65.85 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.659 0.266 . . . . 0.0 111.489 -179.162 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . 0.497 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 14.1 ptpt -87.17 -45.01 11.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.831 0.348 . . . . 0.0 111.326 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.963 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 62.8 t60 -61.14 -39.97 92.09 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -178.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.554 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 3.9 p80 -54.38 -29.04 47.23 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -178.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . 0.554 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 64.4 m-70 -60.25 -31.62 70.37 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.349 178.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . 0.482 HD11 ' HD1' ' A' ' 695' ' ' HIS . 3.1 pt -105.53 -3.56 9.81 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -178.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . 0.44 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . 1.8 t -64.54 100.58 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.012 0.434 . . . . 0.0 111.359 -179.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -49.19 -26.51 6.49 Favored Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.901 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -59.03 -67.27 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.789 0.328 . . . . 0.0 111.134 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 14.4 t -55.69 155.68 5.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.109 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 61.62 153.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -161.63 -44.62 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . 59.79 -176.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -141.55 160.0 41.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.917 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 19.3 p . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.877 0.37 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B 1102 ' ' ILE . . . . . 0.487 HD13 ' HA ' ' A' ' 693' ' ' GLU . 22.8 mt -88.67 159.73 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1103 ' ' SER . . . . . 0.472 ' N ' HG22 ' B' 1102 ' ' ILE . 1.4 m -59.91 177.15 0.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.957 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -94.34 112.51 57.84 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1105 ' ' PRO . . . . . 0.432 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 39.3 Cg_endo -66.99 149.63 82.8 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.381 2.054 . . . . 0.0 112.371 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.11 171.26 0.39 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.545 2.163 . . . . 0.0 112.168 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.77 158.52 55.39 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.542 2.161 . . . . 0.0 112.453 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 14.1 mt -96.34 145.96 25.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.822 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1109 ' ' ILE . . . . . 0.578 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -115.07 122.89 70.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.888 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 2.0 p -85.26 128.74 34.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 7.5 p -127.85 112.66 14.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -148.55 87.56 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.102 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 9.2 mttp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.967 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 11.9 t70 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.789 0.328 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -176.59 -65.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.6 -32.68 74.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -70.63 108.47 4.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . 0.433 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.3 OUTLIER -176.57 133.02 0.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.021 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.579 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 6.7 t -64.38 126.21 27.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.449 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.0 m0 -62.43 -21.88 65.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.576 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -101.97 -62.58 1.24 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.597 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.537 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 69.2 m -55.05 -61.46 2.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.612 -179.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.25 24.8 7.74 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.391 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -128.16 -65.48 0.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.837 0.351 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -157.04 152.1 26.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.095 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.579 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -141.93 143.31 33.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.07 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 26.2 t -120.54 -5.54 9.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.691 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -109.74 157.35 19.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.91 0.386 . . . . 0.0 110.443 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . 0.578 ' HB ' HG13 ' B' 1109 ' ' ILE . 54.0 m -132.94 139.43 47.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.424 -178.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.699 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 42.3 t -67.96 106.04 2.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.204 179.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 16.9 p -66.89 -9.91 42.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 112.198 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -78.13 -46.88 8.82 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.369 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 18.6 p -110.87 -13.61 14.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.68 0.276 . . . . 0.0 111.087 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 16.4 m120 60.29 22.65 12.1 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.006 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 99.7 m -121.45 -36.81 3.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.975 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.966 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -74.03 153.99 39.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.891 -179.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -138.3 141.78 39.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.507 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 91.5 m-85 -152.38 148.89 28.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.702 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.419 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.9 p -92.87 -17.96 23.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.448 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.82 149.71 21.68 Favored Glycine 0 C--N 1.334 0.44 0 C-N-CA 120.273 -0.965 . . . . 0.0 112.805 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 17.8 p -49.09 -34.4 13.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.688 0.28 . . . . 0.0 111.45 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -70.51 -35.1 73.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.75 0.31 . . . . 0.0 110.738 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 58.3 m -63.4 -42.55 98.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.479 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . 0.479 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -65.13 -37.92 88.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.966 -179.765 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . 0.479 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 6.7 m170 -70.32 -37.47 74.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.798 0.332 . . . . 0.0 111.289 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.39 -52.4 65.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.06 0.457 . . . . 0.0 111.115 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.98 -10.1 57.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.106 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.449 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 10.1 t-105 -45.56 -43.13 11.74 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.532 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.5 OUTLIER -52.83 -47.74 67.48 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -178.83 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . 0.585 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 0.0 OUTLIER -86.85 -36.77 18.27 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.597 -179.463 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.966 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 61.4 t60 -67.05 -39.4 86.9 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -178.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.568 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 4.6 p80 -54.43 -28.99 47.87 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -178.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . 0.585 ' CD2' ' HA ' ' A' ' 694' ' ' LYS . 64.1 m-70 -60.49 -30.71 69.87 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.37 178.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . 0.449 HD11 ' HD1' ' A' ' 695' ' ' HIS . 2.9 pt -106.51 -3.55 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -178.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . 0.451 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . 1.8 t -63.48 100.2 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.359 . . . . 0.0 111.361 -179.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -50.09 -27.92 11.7 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.728 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 59.1 26.64 15.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.754 0.311 . . . . 0.0 110.975 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 1.4 m -146.73 151.84 37.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . 0.49 ' N ' HD12 ' A' ' 703' ' ' LEU . 5.0 mp -118.13 39.33 3.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 4.2 tm0? -77.04 123.03 25.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -157.24 31.72 0.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.093 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -167.33 101.16 0.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.838 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 41.7 p . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.844 0.354 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B 1102 ' ' ILE . . . . . 0.447 HD13 ' HA ' ' A' ' 693' ' ' GLU . 16.6 mt -105.31 158.67 5.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.065 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1103 ' ' SER . . . . . 0.437 ' N ' HG22 ' B' 1102 ' ' ILE . 1.5 t -63.59 -169.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 18.2 m120 -103.7 111.95 65.37 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1105 ' ' PRO . . . . . 0.478 ' HB3' ' CD2' ' A' ' 692' ' ' TRP . 39.8 Cg_endo -68.14 152.19 76.47 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.432 2.088 . . . . 0.0 112.442 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.25 168.13 0.65 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.344 2.03 . . . . 0.0 111.898 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.52 163.32 38.89 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.47 2.113 . . . . 0.0 112.635 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1108 ' ' LEU . . . . . 0.608 HD11 ' HB3' ' A' ' 688' ' ' GLN . 61.4 mt -98.89 147.8 24.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1109 ' ' ILE . . . . . 0.571 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.2 pt -115.72 122.89 70.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.85 130.85 34.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 77.9 p -122.94 118.32 27.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -148.9 77.98 1.39 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.072 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 25.1 mmtt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.818 0.342 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.6 m -169.72 -52.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 1.3 m -81.76 143.74 31.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -134.98 112.56 10.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.3 OUTLIER -170.2 130.06 0.93 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.045 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.506 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 6.9 t -65.29 126.57 28.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.012 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.446 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.6 m0 -64.56 -17.45 63.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.457 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -103.99 -63.39 1.2 Allowed 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.313 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.487 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 92.2 m -55.88 -61.63 2.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.494 -179.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.0 23.51 8.56 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.432 -0.889 . . . . 0.0 112.413 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.02 -62.4 1.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.856 0.36 . . . . 0.0 110.816 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -161.05 153.08 19.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.043 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.506 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.1 143.33 33.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.099 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 2.0 t -119.54 -6.25 10.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.68 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -109.74 157.99 18.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.865 0.364 . . . . 0.0 110.365 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . 0.571 ' HB ' HG13 ' B' 1109 ' ' ILE . 67.3 m -132.51 139.43 47.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.476 -178.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.659 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 43.6 t -67.98 105.66 2.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.212 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 97.2 p -66.41 -10.19 41.31 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.125 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -76.52 -49.31 8.21 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.457 -0.878 . . . . 0.0 112.346 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 23.0 p -109.92 -12.3 14.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.626 0.251 . . . . 0.0 111.102 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 2.8 m120 60.08 23.0 12.22 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.032 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 96.0 m -121.97 -37.12 2.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.918 0.389 . . . . 0.0 112.005 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.958 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.64 156.21 38.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.733 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 45.6 mmm-85 -138.17 142.11 40.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.434 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -151.99 146.95 25.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.785 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.444 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 21.5 p -92.81 -18.64 22.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.377 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.86 150.45 22.52 Favored Glycine 0 C--N 1.334 0.446 0 C-N-CA 120.135 -1.031 . . . . 0.0 112.998 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . 0.427 ' O ' ' HG2' ' A' ' 688' ' ' GLN . 80.5 p -48.8 -33.48 10.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.646 0.26 . . . . 0.0 111.659 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -70.43 -35.09 73.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 110.457 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 14.6 m -64.1 -44.3 92.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.336 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . 0.608 ' HB3' HD11 ' B' 1108 ' ' LEU . 1.5 pt20 -61.67 -42.98 99.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.734 0.302 . . . . 0.0 110.467 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . 0.544 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 17.9 m170 -70.45 -37.19 74.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.28 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.34 -52.34 65.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.329 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.7 -8.21 58.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.949 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.478 ' CD2' ' HB3' ' B' 1105 ' ' PRO . 7.4 t-105 -46.43 -42.93 15.98 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.714 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.541 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.4 OUTLIER -52.89 -47.85 67.59 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -178.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . 0.583 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 0.0 OUTLIER -86.74 -36.43 18.64 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.613 -179.346 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.958 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 78.5 t60 -67.15 -40.04 86.64 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.555 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 4.4 p80 -54.78 -29.25 53.68 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -178.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . 0.583 ' CD2' ' HA ' ' A' ' 694' ' ' LYS . 62.6 m-70 -61.61 -32.05 72.15 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 120.411 -0.516 . . . . 0.0 109.695 178.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.6 mt -90.79 -55.2 6.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.8 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.0 t -36.37 155.22 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.411 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 71.69 34.54 62.78 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.515 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -94.85 -36.86 11.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.792 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 91.5 m -131.6 136.31 47.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.823 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 85.3 mt -106.45 -44.38 4.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -132.85 148.36 52.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -67.5 86.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.058 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -65.91 114.76 5.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.913 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 21.0 p . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.775 0.321 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B 1102 ' ' ILE . . . . . 0.481 HG22 ' N ' ' B' 1103 ' ' SER . 22.2 mt -121.85 160.31 23.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.057 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1103 ' ' SER . . . . . 0.481 ' N ' HG22 ' B' 1102 ' ' ILE . 3.0 m -55.49 174.54 0.09 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -94.89 124.96 52.83 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1105 ' ' PRO . . . . . 0.448 ' HB3' ' CD2' ' A' ' 692' ' ' TRP . 44.0 Cg_endo -68.45 168.86 18.49 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.418 2.079 . . . . 0.0 112.41 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1106 ' ' PRO . . . . . 0.407 ' HG3' ' HA3' ' A' ' 676' ' ' GLY . 50.2 Cg_endo -69.6 171.86 13.53 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.671 2.248 . . . . 0.0 112.266 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.53 156.13 67.38 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.559 2.173 . . . . 0.0 112.476 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 16.3 mt -96.83 146.32 25.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.771 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1109 ' ' ILE . . . . . 0.582 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -114.92 122.98 70.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.866 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.47 129.65 34.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 24.6 p -122.93 119.31 30.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -139.84 143.61 36.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.827 0.346 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 58.6 p -169.75 151.69 4.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -176.81 -40.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.99 0.424 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -113.5 121.32 43.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . 0.448 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -165.17 132.43 2.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.015 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.557 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 6.8 t -69.19 126.25 29.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.495 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.8 m0 -62.74 -23.47 67.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.586 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -100.15 -62.9 1.18 Allowed 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.611 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.523 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 64.2 m -54.53 -61.2 2.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.638 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.98 23.43 9.22 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.428 -0.891 . . . . 0.0 112.436 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -126.15 -63.65 1.09 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.695 0.283 . . . . 0.0 110.825 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -159.93 152.17 20.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.996 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.557 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.21 143.45 32.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.21 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.76 -4.86 9.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.758 -179.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -109.68 156.86 19.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.804 0.335 . . . . 0.0 110.488 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . 0.582 ' HB ' HG13 ' B' 1109 ' ' ILE . 68.1 m -133.38 139.51 46.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.535 -178.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.657 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 41.0 t -68.12 106.44 2.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.261 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 20.1 p -67.4 -9.39 41.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.233 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . 0.407 ' HA3' ' HG3' ' B' 1106 ' ' PRO . . . -79.09 -44.45 9.8 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.455 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 18.0 p -112.79 -14.45 13.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.683 0.277 . . . . 0.0 111.107 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 60.61 23.1 12.88 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.936 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 89.3 m -121.88 -37.05 2.91 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.968 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.92 154.43 39.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.9 -179.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -138.3 141.57 39.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.402 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 89.9 m-85 -152.45 148.9 27.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.792 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.438 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.0 p -93.47 -18.22 22.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.524 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.09 150.89 23.01 Favored Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.115 -1.041 . . . . 0.0 113.257 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' A' ' 688' ' ' GLN . 2.3 p -51.78 -23.09 4.19 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.919 0.341 . . . . 0.0 111.919 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -80.95 -35.75 31.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.81 0.338 . . . . 0.0 110.657 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 19.1 m -63.61 -44.74 93.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.395 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . 0.459 ' OE1' ' CD2' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -62.0 -40.25 95.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.82 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . 0.459 ' CD2' ' OE1' ' A' ' 688' ' ' GLN . 8.2 m170 -69.63 -37.21 76.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.746 0.308 . . . . 0.0 111.205 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -52.41 65.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.015 0.436 . . . . 0.0 111.338 -179.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.11 -9.58 57.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.043 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.449 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 9.5 t-105 -45.42 -44.27 11.96 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.541 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.8 OUTLIER -52.95 -43.29 66.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.665 0.269 . . . . 0.0 111.467 -179.079 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . 0.494 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 9.8 ptpt -87.04 -44.67 11.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.855 0.359 . . . . 0.0 111.305 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.968 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 63.2 t60 -61.21 -40.13 92.8 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -178.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.551 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 3.8 p80 -54.27 -29.07 45.71 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -178.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . 0.551 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 63.5 m-70 -59.57 -31.33 69.34 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.497 178.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . 0.485 HD11 ' HD1' ' A' ' 695' ' ' HIS . 3.2 pt -105.41 -3.75 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -178.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 1.8 t -67.09 102.8 1.06 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.293 0.568 . . . . 0.0 110.94 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 157.61 -14.34 0.29 Allowed Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.371 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -102.34 121.37 42.16 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.862 0.363 . . . . 0.0 110.858 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 73.5 p -60.46 -63.53 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -138.55 138.77 38.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.63 164.57 12.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -129.57 135.54 48.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.099 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.5 -47.67 1.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.945 0.402 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B 1102 ' ' ILE . . . . . 0.53 HD13 ' HA ' ' A' ' 693' ' ' GLU . 19.2 mt -135.66 160.17 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.08 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1103 ' ' SER . . . . . 0.496 ' N ' HG22 ' B' 1102 ' ' ILE . 5.5 m -56.06 170.99 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.028 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -89.47 111.74 47.46 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1105 ' ' PRO . . . . . 0.44 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 41.0 Cg_endo -67.33 151.27 80.85 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.386 2.057 . . . . 0.0 112.352 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.82 169.92 0.33 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.571 2.181 . . . . 0.0 112.212 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.64 158.63 55.27 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.557 2.171 . . . . 0.0 112.483 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 46.5 mt -96.46 146.01 25.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1109 ' ' ILE . . . . . 0.567 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.2 pt -114.47 122.89 69.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.958 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.58 128.02 34.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.858 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 97.5 p -120.69 114.97 22.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -144.89 116.7 8.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.862 0.363 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 3.6 t -125.34 114.53 19.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.74 131.16 2.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 60.31 103.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.964 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . 0.471 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.3 OUTLIER -167.52 127.76 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.005 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.554 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 6.4 t -68.15 126.04 28.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.054 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.466 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.8 m0 -63.15 -20.83 65.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.509 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -102.03 -62.87 1.21 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.543 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.508 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 93.0 m -55.31 -60.87 2.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.596 -179.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 102.31 23.89 8.73 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.447 -0.882 . . . . 0.0 112.43 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.16 -63.91 1.07 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.73 0.3 . . . . 0.0 110.785 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -159.77 152.86 21.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.049 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.554 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.0 143.24 33.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.115 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.25 -6.18 9.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.673 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -109.65 157.9 18.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.809 0.337 . . . . 0.0 110.458 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . 0.567 ' HB ' HG13 ' B' 1109 ' ' ILE . 60.3 m -133.9 139.51 46.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.52 -178.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.631 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 43.3 t -66.83 103.96 1.24 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.048 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 58.8 p -64.83 -10.15 26.01 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.271 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -78.42 -44.27 11.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.408 -0.901 . . . . 0.0 112.455 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 19.6 p -113.57 -13.73 12.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.598 0.237 . . . . 0.0 111.303 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.8 m120 59.66 22.87 11.63 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.745 0.307 . . . . 0.0 110.941 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 97.3 m -121.31 -37.08 2.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.812 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.936 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -75.68 154.7 36.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.594 -179.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -138.27 141.8 39.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.59 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . 0.437 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 91.8 m-85 -152.35 148.52 27.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.698 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.441 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.2 p -93.21 -18.07 22.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.477 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.85 149.93 21.92 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 120.196 -1.002 . . . . 0.0 112.901 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 1.4 p -48.88 -33.84 11.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.661 0.267 . . . . 0.0 111.596 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -70.92 -35.34 72.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.731 0.3 . . . . 0.0 110.642 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 31.0 m -63.31 -44.55 94.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.428 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -64.52 -38.06 89.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.809 -179.728 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . 0.47 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 6.2 m170 -70.4 -37.41 74.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.876 0.369 . . . . 0.0 111.151 179.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -52.23 66.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.079 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.93 -10.17 57.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.042 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.443 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 8.8 t-105 -45.7 -43.53 12.82 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.534 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.6 OUTLIER -52.66 -48.0 66.77 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -178.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . 0.585 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 0.0 OUTLIER -86.8 -36.22 18.67 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.617 -179.312 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.936 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 71.6 t60 -67.67 -39.22 84.52 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.57 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 4.8 p80 -54.67 -28.97 51.19 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -179.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . 0.585 ' CD2' ' HA ' ' A' ' 694' ' ' LYS . 61.8 m-70 -61.73 -31.21 71.36 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.113 178.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 695' ' ' HIS . 0.1 OUTLIER -103.22 -4.33 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -178.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . 0.408 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . 1.8 t -71.37 120.47 16.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.009 0.433 . . . . 0.0 111.196 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 127.15 14.51 2.7 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.921 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . 0.514 ' CG ' HD12 ' A' ' 703' ' ' LEU . 9.5 tp60 58.43 167.68 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.921 0.391 . . . . 0.0 111.035 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 5.4 t -128.18 30.66 5.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . 0.514 HD12 ' CG ' ' A' ' 701' ' ' GLN . 4.1 mt -105.49 150.95 24.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -113.28 133.38 55.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . 60.61 178.83 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.56 110.85 20.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.945 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.941 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.93 0.395 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B 1102 ' ' ILE . . . . . 0.498 HG22 ' N ' ' B' 1103 ' ' SER . 15.5 mt -76.55 160.42 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.982 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1103 ' ' SER . . . . . 0.498 ' N ' HG22 ' B' 1102 ' ' ILE . 0.3 OUTLIER -56.89 154.85 8.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.016 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B 1104 ' ' ASN . . . . . 0.418 ' HA ' ' HD3' ' B' 1105 ' ' PRO . 2.8 m-20 -72.34 128.64 88.53 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.779 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1105 ' ' PRO . . . . . 0.45 ' HG3' ' CD2' ' A' ' 692' ' ' TRP . 6.1 Cg_exo -77.44 175.74 10.92 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.592 2.195 . . . . 0.0 112.066 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1106 ' ' PRO . . . . . 0.411 ' HG3' ' HA3' ' A' ' 676' ' ' GLY . 61.5 Cg_endo -73.43 170.58 19.58 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.483 2.122 . . . . 0.0 112.165 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.37 155.03 64.79 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.513 2.142 . . . . 0.0 112.367 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 15.6 mt -96.11 145.3 25.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1109 ' ' ILE . . . . . 0.581 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -115.35 122.83 70.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 2.6 p -86.75 131.23 34.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.907 0.384 . . . . 0.0 110.99 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 31.1 p -127.78 117.67 22.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -161.47 81.49 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 44.2 mttt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.849 0.357 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 2.3 p -165.59 169.53 15.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 20.0 m -116.35 156.17 27.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -92.85 75.91 4.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . 0.446 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -165.98 130.57 2.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.988 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.528 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 6.4 t -67.56 125.88 27.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.46 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.4 m0 -62.91 -20.0 64.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.508 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -103.32 -62.67 1.26 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.558 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.528 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 65.5 m -54.9 -61.14 2.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.535 -179.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 100.91 23.6 9.76 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.379 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -126.1 -58.94 1.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.779 0.323 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.1 OUTLIER -165.98 153.13 9.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.094 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.49 ' HB2' ' CA ' ' A' ' 663' ' ' CYS . . . -143.8 144.46 31.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.185 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.6 m -120.9 -4.31 9.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.728 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.71 157.03 19.53 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.814 0.34 . . . . 0.0 110.47 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . 0.581 ' HB ' HG13 ' B' 1109 ' ' ILE . 99.5 m -132.63 139.51 47.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.452 -178.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.671 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 44.8 t -68.74 107.51 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.286 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 54.0 p -68.29 -9.69 49.44 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.154 -0.475 . . . . 0.0 112.181 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . 0.411 ' HA3' ' HG3' ' B' 1106 ' ' PRO . . . -76.58 -49.57 7.93 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.236 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 24.2 p -109.79 -12.39 14.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.733 0.301 . . . . 0.0 111.074 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.8 m120 60.22 23.36 12.73 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.05 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 96.4 m -122.37 -36.87 2.88 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.985 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.56 154.4 39.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.74 -179.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -138.25 142.01 39.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.563 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . 0.419 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 91.8 m-85 -152.09 148.9 28.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.337 . . . . 0.0 110.734 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.443 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 21.3 p -92.83 -18.91 22.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.479 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.34 149.33 21.28 Favored Glycine 0 C--N 1.335 0.492 0 C-N-CA 120.229 -0.986 . . . . 0.0 112.826 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 99.6 p -49.45 -34.05 15.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.682 0.277 . . . . 0.0 111.383 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -70.64 -34.85 72.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.672 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 62.9 m -63.62 -41.37 98.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.464 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . 0.474 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -63.74 -37.62 88.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.882 -179.746 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . 0.474 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 10.2 m170 -70.37 -37.43 74.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.82 0.343 . . . . 0.0 111.419 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -52.31 65.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.028 0.442 . . . . 0.0 111.152 -179.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.04 -10.66 56.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.148 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.45 ' CD2' ' HG3' ' B' 1105 ' ' PRO . 9.5 t-105 -45.26 -45.4 11.94 Favored 'General case' 0 N--CA 1.461 0.101 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.547 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.0 OUTLIER -52.83 -42.69 65.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.7 0.286 . . . . 0.0 111.522 -179.157 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . 0.484 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 0.2 OUTLIER -87.01 -44.64 11.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.509 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.985 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 75.0 t60 -61.46 -41.74 97.7 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -178.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.549 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 3.8 p80 -54.55 -29.39 50.85 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -178.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . 0.549 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 70.3 m-70 -60.81 -30.75 70.26 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 178.262 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.6 mt -92.66 -54.11 7.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.888 -178.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.3 t -37.37 157.33 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 80.79 15.95 76.41 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.867 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . 0.503 ' O ' HG23 ' A' ' 702' ' ' THR . 0.3 OUTLIER 66.01 -72.99 0.07 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.755 0.312 . . . . 0.0 111.049 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 701' ' ' GLN . 17.1 p -159.05 -178.14 7.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 1.6 mp -107.94 167.21 10.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -64.7 175.56 1.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -128.81 31.15 4.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -113.3 143.63 44.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 17.9 p . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.823 0.344 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B 1102 ' ' ILE . . . . . 0.476 HG22 ' N ' ' B' 1103 ' ' SER . 18.2 mt -107.58 160.0 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.186 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1103 ' ' SER . . . . . 0.476 ' N ' HG22 ' B' 1102 ' ' ILE . 20.3 m -57.75 172.09 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.995 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -86.86 115.03 61.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.824 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1105 ' ' PRO . . . . . 0.483 ' HB3' ' CD2' ' A' ' 692' ' ' TRP . 37.1 Cg_endo -66.96 160.8 45.4 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.419 2.08 . . . . 0.0 112.548 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1106 ' ' PRO . . . . . 0.427 ' HG2' ' HA3' ' A' ' 676' ' ' GLY . 52.9 Cg_exo -54.96 163.33 4.28 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.618 2.212 . . . . 0.0 111.864 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.68 164.72 34.79 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.426 2.084 . . . . 0.0 112.543 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 12.9 mt -100.18 148.44 24.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.04 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1109 ' ' ILE . . . . . 0.564 HG13 ' HB ' ' A' ' 673' ' ' THR . 0.8 OUTLIER -116.0 123.2 71.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.75 179.697 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.43 130.6 35.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.005 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 77.9 p -123.98 114.1 19.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -162.75 106.34 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 25.5 mttt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.797 0.332 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 8.5 t -123.91 158.98 30.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.819 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 1.7 t -76.73 -179.96 5.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.989 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -109.55 97.57 7.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . 0.466 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -165.61 131.57 2.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.967 179.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.531 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 8.4 t -67.39 126.75 30.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.487 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.8 m0 -63.78 -20.02 65.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.669 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -102.67 -63.82 1.13 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.443 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.49 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 89.5 m -54.88 -60.52 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.585 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 100.98 23.98 9.41 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.398 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 17.6 mtp85 -125.49 -61.36 1.27 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.828 0.347 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -163.49 152.46 14.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.037 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.531 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.44 143.62 32.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.177 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 11.5 m -119.89 -4.94 10.12 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.651 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -109.66 157.0 19.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.788 0.328 . . . . 0.0 110.392 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . 0.564 ' HB ' HG13 ' B' 1109 ' ' ILE . 48.7 m -132.91 139.6 47.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.493 -178.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.63 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 44.4 t -67.81 105.54 1.98 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.185 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 45.8 p -66.64 -9.46 36.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.193 -179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . 0.427 ' HA3' ' HG2' ' B' 1106 ' ' PRO . . . -77.39 -47.84 8.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.379 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 26.1 p -111.05 -13.04 14.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.718 0.294 . . . . 0.0 111.055 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 43.6 t30 60.19 24.42 13.76 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.116 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 63.9 m -122.8 -37.52 2.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.936 -179.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.904 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.66 156.06 38.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.789 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -138.23 141.84 39.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.451 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . 0.42 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 90.2 m-85 -152.22 146.84 25.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.637 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.447 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 19.5 p -92.35 -19.79 21.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.249 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.06 150.39 22.43 Favored Glycine 0 C--N 1.334 0.472 0 C-N-CA 120.166 -1.016 . . . . 0.0 112.894 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . 0.43 ' O ' ' HG2' ' A' ' 688' ' ' GLN . 53.8 p -47.63 -37.59 12.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.672 0.272 . . . . 0.0 111.56 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -66.05 -35.08 79.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.805 0.336 . . . . 0.0 110.531 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 14.3 m -64.59 -45.48 86.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.234 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . 0.552 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 1.2 pt20 -61.88 -41.75 98.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.603 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . 0.552 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 18.7 m170 -70.61 -37.2 73.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.371 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -52.36 65.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.976 0.417 . . . . 0.0 111.517 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.75 -7.86 59.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.892 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.483 ' CD2' ' HB3' ' B' 1105 ' ' PRO . 6.2 t-105 -44.88 -45.01 10.05 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.568 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.0 OUTLIER -53.99 -38.39 65.02 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.593 0.235 . . . . 0.0 111.137 -179.561 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . 0.541 ' HG2' ' HG2' ' A' ' 693' ' ' GLU . 8.6 mmpt? -87.28 -49.39 7.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.971 0.415 . . . . 0.0 111.142 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.904 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 40.2 t60 -57.35 -43.74 83.74 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.568 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 3.2 p80 -54.61 -29.02 50.67 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . 0.535 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 67.0 m-70 -60.18 -27.06 66.83 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.299 178.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . 0.525 HD12 ' HA ' ' A' ' 695' ' ' HIS . 0.1 OUTLIER -105.22 -49.21 9.17 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.957 -178.761 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 10.9 t -37.86 136.78 0.54 Allowed 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 89.91 -25.0 12.72 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.886 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -137.85 89.59 2.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 0.0 110.962 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.42 104.54 5.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.73 -69.46 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -80.77 169.57 17.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -107.85 174.23 5.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -160.45 32.22 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 17.0 tm0? . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.887 179.921 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.723 0.297 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1102 ' ' ILE . . . . . 0.48 HG22 ' N ' ' B' 1103 ' ' SER . 21.0 mt -145.81 160.36 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.023 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1103 ' ' SER . . . . . 0.48 ' N ' HG22 ' B' 1102 ' ' ILE . 2.2 t -54.52 -177.43 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -102.15 116.44 63.11 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1105 ' ' PRO . . . . . 0.433 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 45.1 Cg_endo -68.49 157.27 62.52 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.482 2.121 . . . . 0.0 112.402 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1106 ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' 1105 ' ' PRO . 49.5 Cg_exo -55.93 172.63 0.53 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.628 2.219 . . . . 0.0 112.19 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.49 160.84 45.79 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.663 2.242 . . . . 0.0 112.541 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1108 ' ' LEU . . . . . 0.714 HD11 ' HG2' ' A' ' 688' ' ' GLN . 56.7 mt -96.98 146.66 24.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1109 ' ' ILE . . . . . 0.577 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -115.69 123.02 70.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.052 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 81.0 p -84.23 128.56 34.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.845 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 82.6 p -120.58 118.83 31.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -168.99 104.61 0.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 1.5 mtmt . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.8 m -135.97 -57.13 0.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.4 135.18 5.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -85.31 94.37 8.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . 0.467 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -168.99 132.44 1.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.053 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.577 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 5.0 t -67.21 125.77 27.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.083 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.481 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.3 m0 -62.87 -22.22 66.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.608 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . 0.401 ' OD1' ' HE2' ' A' ' 690' ' ' LYS . 3.3 t30 -101.8 -62.14 1.3 Allowed 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.518 -179.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.557 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 57.5 m -54.38 -61.45 2.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.529 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.17 24.34 8.02 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.348 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -128.56 -65.81 0.87 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.838 0.351 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -157.12 151.83 25.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.046 0.451 . . . . 0.0 111.22 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.577 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -141.99 143.69 33.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.019 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.59 -5.9 10.23 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -179.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -109.69 158.48 18.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.962 0.41 . . . . 0.0 110.513 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . 0.577 ' HB ' HG13 ' B' 1109 ' ' ILE . 79.3 m -132.39 139.34 48.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.495 -178.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.675 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 39.0 t -67.97 106.02 2.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.208 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 59.8 p -66.57 -10.29 43.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.139 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -75.62 -49.49 9.01 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.267 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 27.8 p -111.31 -11.52 14.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.63 0.252 . . . . 0.0 111.28 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 12.2 m120 60.35 24.6 14.09 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.078 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 96.2 m -122.84 -37.35 2.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.33 -0.395 . . . . 0.0 112.04 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.9 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -74.13 154.69 39.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.789 -179.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -138.23 141.42 39.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.615 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . 0.464 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 92.9 m-85 -152.74 148.36 27.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.571 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.414 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.2 p -91.64 -18.49 23.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.289 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -152.12 152.23 23.98 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.444 -0.884 . . . . 0.0 112.934 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . 0.442 ' O ' ' HG3' ' A' ' 688' ' ' GLN . 4.5 t -52.3 -22.84 4.9 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.641 0.258 . . . . 0.0 111.608 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -75.29 -41.15 57.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.045 0.45 . . . . 0.0 110.205 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . 0.4 ' HA ' ' ND2' ' A' ' 665' ' ' ASN . 18.3 m -63.56 -45.34 90.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.618 -179.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . 0.714 ' HG2' HD11 ' B' 1108 ' ' LEU . 0.0 OUTLIER -61.7 -43.69 98.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.716 0.293 . . . . 0.0 110.544 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . 0.439 ' CD2' ' OE1' ' A' ' 688' ' ' GLN . 4.8 m170 -68.57 -37.02 79.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.137 179.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . 0.405 ' HB3' ' HE2' ' A' ' 690' ' ' LYS . 0.0 OUTLIER -57.47 -52.34 65.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.239 -179.77 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.88 -9.7 57.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.02 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.446 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 11.8 t-105 -45.45 -43.97 11.86 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.563 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.0 OUTLIER -52.91 -41.45 64.43 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.703 0.287 . . . . 0.0 111.313 -179.318 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . 0.46 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 36.6 mtmt -86.97 -47.79 8.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 0.0 111.229 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.9 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 49.8 t60 -57.46 -43.75 84.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.327 -178.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.563 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 3.3 p80 -54.52 -29.14 49.73 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . 0.541 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 58.6 m-70 -60.32 -27.57 67.43 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.092 178.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . 0.567 HD12 ' HA ' ' A' ' 695' ' ' HIS . 0.1 OUTLIER -101.1 -51.17 9.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.773 -178.833 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 8.4 t -37.25 155.77 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.246 -179.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 84.64 32.43 21.85 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.526 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -168.24 129.78 1.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.793 0.33 . . . . 0.0 110.853 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 25.6 p -59.98 159.13 9.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . 0.437 HD22 ' O ' ' A' ' 705' ' ' ALA . 0.3 OUTLIER -151.35 121.82 7.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -99.4 35.7 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . 0.437 ' O ' HD22 ' A' ' 703' ' ' LEU . . . -165.92 151.36 8.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -169.52 -45.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.133 -0.937 . . . . 0.0 110.879 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.854 0.359 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B 1102 ' ' ILE . . . . . 0.488 HG22 ' N ' ' B' 1103 ' ' SER . 24.1 mt -79.89 160.31 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.058 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1103 ' ' SER . . . . . 0.488 ' N ' HG22 ' B' 1102 ' ' ILE . 1.8 t -55.52 166.75 0.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -85.65 120.69 73.15 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1105 ' ' PRO . . . . . 0.428 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 53.7 Cg_endo -69.29 171.07 14.59 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.421 2.081 . . . . 0.0 112.388 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.16 171.14 15.46 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.618 2.212 . . . . 0.0 112.328 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.42 156.87 60.7 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.598 2.199 . . . . 0.0 112.459 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 15.8 mt -95.78 145.46 25.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1109 ' ' ILE . . . . . 0.587 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -114.87 122.93 69.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.949 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.71 129.75 35.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.961 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 87.3 p -130.39 111.33 12.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -153.44 102.73 2.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 44.2 mttt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 12.1 t70 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.855 0.359 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.51 99.72 3.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.68 -39.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -119.0 95.04 4.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.949 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 2.2 t 179.22 143.38 0.13 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.598 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 7.1 t -70.34 126.49 29.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.095 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.478 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.1 m0 -63.52 -24.6 67.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.538 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -97.27 -62.58 1.23 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.376 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.53 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 99.4 m -56.17 -59.73 4.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.538 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.84 30.03 5.95 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.409 -0.901 . . . . 0.0 112.386 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -135.47 -71.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.776 0.322 . . . . 0.0 111.127 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 1.6 mmtp -148.34 146.6 28.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.009 0.433 . . . . 0.0 111.461 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.598 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -139.6 142.45 37.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.944 179.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.25 -5.31 9.93 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.861 -179.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -109.69 156.93 19.63 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.815 0.34 . . . . 0.0 110.42 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . 0.587 ' HB ' HG13 ' B' 1109 ' ' ILE . 66.9 m -132.55 139.48 47.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.562 -178.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.648 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 44.1 t -68.13 107.16 2.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.323 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 33.5 p -67.31 -9.31 39.72 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.134 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -77.79 -46.36 9.69 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.36 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 20.0 p -112.39 -13.41 13.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.59 0.233 . . . . 0.0 111.178 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 61.9 t30 60.08 24.15 13.38 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.794 0.33 . . . . 0.0 110.822 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 75.6 m -122.5 -37.4 2.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.969 -179.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.949 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.41 155.43 39.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.796 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -138.28 141.84 39.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.466 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . 0.434 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 90.0 m-85 -152.28 147.48 26.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.695 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.449 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 19.6 p -92.73 -18.75 22.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.432 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.67 149.48 21.42 Favored Glycine 0 C--N 1.335 0.48 0 C-N-CA 120.201 -1.0 . . . . 0.0 112.867 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 2.3 p -48.67 -35.43 13.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.69 0.281 . . . . 0.0 111.413 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -69.68 -34.47 73.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.73 0.3 . . . . 0.0 110.606 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 59.2 m -63.96 -42.24 97.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.451 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . 0.477 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -65.35 -37.81 88.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.957 -179.796 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . 0.477 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 7.8 m170 -70.42 -37.29 74.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.747 0.308 . . . . 0.0 111.427 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -52.57 64.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.17 0.51 . . . . 0.0 111.217 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.05 -9.87 57.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.054 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.445 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 10.2 t-105 -44.99 -44.74 10.13 Favored 'General case' 0 N--CA 1.461 0.095 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.558 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.3 OUTLIER -52.76 -41.52 64.14 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.728 0.299 . . . . 0.0 111.313 -179.363 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . 0.474 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 9.1 mtmt -87.18 -47.74 8.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.298 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.949 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 63.2 t60 -57.41 -43.72 83.99 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -178.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.558 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 3.1 p80 -54.59 -28.98 50.06 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -179.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . 0.534 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 56.4 m-70 -59.45 -27.0 65.69 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.082 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . 0.517 HD12 ' HA ' ' A' ' 695' ' ' HIS . 0.1 OUTLIER -103.28 -48.54 10.48 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.669 -179.122 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.7 t -34.33 137.35 0.12 Allowed 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . -73.18 -4.66 64.11 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.892 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 66.25 -75.41 0.05 Allowed 'General case' 0 C--O 1.231 0.117 0 CA-C-O 120.757 0.313 . . . . 0.0 111.033 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.07 -68.34 0.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.025 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 9.9 tp -132.47 158.87 40.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.976 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.82 87.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -156.39 133.73 10.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.142 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -92.96 140.68 29.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.318 -0.849 . . . . 0.0 110.949 -179.955 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.871 0.367 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1102 ' ' ILE . . . . . 0.484 HG22 ' N ' ' B' 1103 ' ' SER . 6.8 mt -107.91 159.88 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1103 ' ' SER . . . . . 0.484 ' N ' HG22 ' B' 1102 ' ' ILE . 73.4 m -55.15 179.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1104 ' ' ASN . . . . . 0.402 ' HA ' ' HD2' ' B' 1105 ' ' PRO . 3.4 m-20 -90.77 107.39 20.19 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1105 ' ' PRO . . . . . 0.524 ' HB3' ' CD2' ' A' ' 692' ' ' TRP . 31.6 Cg_endo -65.85 166.7 19.6 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.383 2.055 . . . . 0.0 112.672 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1106 ' ' PRO . . . . . 0.435 ' HG2' ' HA3' ' A' ' 676' ' ' GLY . 16.4 Cg_exo -67.41 159.22 53.39 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.843 2.362 . . . . 0.0 111.773 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.85 163.09 39.62 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.373 2.048 . . . . 0.0 112.262 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 13.1 mt -99.33 147.13 25.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1109 ' ' ILE . . . . . 0.567 HG13 ' HB ' ' A' ' 673' ' ' THR . 0.7 OUTLIER -116.52 123.24 71.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.815 179.72 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 1.1 p -84.04 127.77 34.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.928 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 43.8 p -122.62 113.29 19.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -155.87 104.02 2.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 5.8 mmtp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.932 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 1.6 t70 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.823 0.344 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 36.2 t -147.84 -173.55 4.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.803 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.88 -39.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -80.63 76.82 7.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . 0.489 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 1.2 p -171.41 131.36 0.74 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.975 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.538 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 6.0 t -68.55 126.34 29.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.068 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.462 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.8 m0 -63.93 -22.15 66.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.56 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . 0.402 ' OD1' ' HE2' ' A' ' 690' ' ' LYS . 1.9 t30 -100.32 -63.49 1.13 Allowed 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.342 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.516 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 65.8 m -54.72 -61.27 2.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.59 -179.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 102.47 23.9 8.63 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.371 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 -126.69 -63.13 1.09 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.72 0.295 . . . . 0.0 110.842 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -161.02 152.47 19.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.062 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.538 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.23 144.14 33.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.193 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -119.49 -5.71 10.29 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.818 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -109.68 158.58 17.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.851 0.357 . . . . 0.0 110.452 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . 0.567 ' HB ' HG13 ' B' 1109 ' ' ILE . 50.4 m -133.52 139.63 46.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.627 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.627 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 41.1 t -67.43 105.46 1.81 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.139 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 90.8 p -67.24 -9.61 42.31 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -179.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . 0.435 ' HA3' ' HG2' ' B' 1106 ' ' PRO . . . -78.78 -46.11 8.8 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.383 -0.913 . . . . 0.0 112.374 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 21.2 p -110.83 -14.22 14.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.743 0.306 . . . . 0.0 111.005 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.8 m120 60.65 23.16 12.98 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.154 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 95.9 m -122.46 -37.01 2.84 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.963 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -74.51 155.35 38.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.837 -179.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -138.31 141.75 39.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.528 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . 0.41 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 94.4 m-85 -152.37 147.8 26.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.668 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.441 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.6 p -91.88 -19.29 22.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.184 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -151.29 151.23 23.23 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.413 -0.899 . . . . 0.0 112.752 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . 0.416 ' O ' ' HG2' ' A' ' 688' ' ' GLN . 0.3 OUTLIER -49.41 -33.67 14.47 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.817 0.341 . . . . 0.0 111.23 -179.85 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -65.26 -40.79 94.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.934 0.397 . . . . 0.0 110.314 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 19.3 m -63.22 -44.52 95.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.508 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . 0.556 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 1.1 pt20 -61.79 -42.04 98.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.756 0.312 . . . . 0.0 110.534 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . 0.556 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 15.5 m170 -70.51 -37.3 74.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.374 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . 0.402 ' HE2' ' OD1' ' A' ' 665' ' ' ASN . 0.0 OUTLIER -57.29 -52.29 65.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.384 -179.499 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.7 -8.27 58.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.957 179.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.524 ' CD2' ' HB3' ' B' 1105 ' ' PRO . 6.7 t-105 -45.87 -44.95 14.82 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.765 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.559 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.5 OUTLIER -52.96 -41.33 64.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.761 0.315 . . . . 0.0 111.258 -179.448 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . 0.489 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 10.9 mtmt -87.21 -47.75 8.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.265 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.963 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 74.7 t60 -59.08 -40.93 86.77 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -178.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.559 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 3.7 p80 -54.71 -29.36 53.01 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -178.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . 0.542 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 68.8 m-70 -61.42 -32.27 72.22 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 120.452 -0.499 . . . . 0.0 109.77 178.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . 0.424 HG22 HD21 ' A' ' 703' ' ' LEU . 2.6 mt -91.67 -54.78 6.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.001 -178.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.9 t -35.18 153.04 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 70.14 30.5 69.67 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.611 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -156.29 154.31 30.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 0.0 110.787 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 11.6 p -88.48 122.98 32.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 703' ' ' LEU . 3.8 mm? -108.85 31.2 5.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.28 141.37 35.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -170.51 105.83 0.29 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -59.84 112.11 1.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.911 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 10.5 m . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.82 0.343 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B 1102 ' ' ILE . . . . . 0.493 HG22 ' N ' ' B' 1103 ' ' SER . 3.3 mt -110.1 160.09 9.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1103 ' ' SER . . . . . 0.493 ' N ' HG22 ' B' 1102 ' ' ILE . 32.6 t -59.48 -169.68 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -101.9 113.48 65.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1105 ' ' PRO . . . . . 0.425 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 40.6 Cg_endo -67.21 152.07 80.14 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.304 2.003 . . . . 0.0 112.226 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.95 171.0 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.527 2.151 . . . . 0.0 112.282 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.48 159.68 50.69 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.587 2.192 . . . . 0.0 112.533 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 88.4 mt -96.4 146.13 25.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1109 ' ' ILE . . . . . 0.576 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -115.71 122.9 70.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.999 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.82 130.45 34.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.95 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 84.6 p -123.74 111.49 16.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -157.45 77.0 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.015 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.79 0.329 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.8 m -60.89 116.42 4.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 9.3 m -79.86 121.32 25.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 60.73 94.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . 0.459 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.3 OUTLIER -172.61 131.88 0.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.002 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.553 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 5.4 t -69.31 125.91 28.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.446 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 14.9 m0 -63.74 -20.92 66.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.49 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -102.17 -62.95 1.2 Allowed 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.44 -179.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.533 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 59.4 m -54.23 -61.88 2.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.527 -179.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.34 22.29 9.26 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.374 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -125.55 -64.93 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.748 0.309 . . . . 0.0 110.769 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -158.65 152.65 23.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.077 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.553 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -141.48 143.09 33.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.103 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.02 -6.11 10.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.782 -179.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -109.69 157.09 19.45 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.868 0.366 . . . . 0.0 110.378 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . 0.576 ' HB ' HG13 ' B' 1109 ' ' ILE . 78.4 m -131.51 139.39 49.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.574 -178.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.619 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 38.7 t -68.43 106.65 2.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.234 179.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 24.9 p -67.05 -9.96 44.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.112 -179.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -76.45 -48.95 8.6 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.27 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 21.5 p -110.68 -12.34 14.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.588 0.233 . . . . 0.0 111.15 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.6 m120 59.84 23.32 12.3 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.014 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 97.2 m -122.35 -37.08 2.85 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.977 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.96 155.02 39.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.641 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -138.28 141.79 39.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.694 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . 0.447 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 91.7 m-85 -152.51 148.53 27.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.749 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.426 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 22.4 p -92.79 -18.22 23.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.312 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -151.54 150.87 22.86 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.396 -0.906 . . . . 0.0 112.75 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . 0.404 ' O ' ' HG3' ' A' ' 688' ' ' GLN . 2.5 p -49.03 -33.82 12.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.84 0.352 . . . . 0.0 111.379 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -66.42 -40.42 89.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.921 0.391 . . . . 0.0 110.522 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 19.8 m -62.86 -45.66 91.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.767 -179.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . 0.5 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -62.78 -39.28 93.73 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.726 -179.815 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . 0.5 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 8.0 m170 -70.44 -37.52 74.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.874 0.369 . . . . 0.0 111.068 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -52.15 66.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.132 0.491 . . . . 0.0 111.03 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 694' ' ' LYS . 0.7 OUTLIER -84.82 -10.35 57.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.983 179.713 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.442 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 8.8 t-105 -45.86 -43.55 13.66 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.649 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.537 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.4 OUTLIER -52.78 -47.97 67.15 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -178.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . 0.591 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 0.0 OUTLIER -86.74 -35.95 18.92 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.669 -179.319 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.977 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 78.6 t60 -67.44 -40.39 85.45 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -179.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.556 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 4.5 p80 -54.72 -29.28 53.0 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -178.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . 0.591 ' CD2' ' HA ' ' A' ' 694' ' ' LYS . 62.1 m-70 -61.23 -32.14 71.93 Favored 'General case' 0 C--O 1.231 0.121 0 C-N-CA 120.367 -0.533 . . . . 0.0 109.613 178.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.9 mt -88.93 -55.83 5.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.633 -179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.6 t -35.99 154.64 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.476 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 66.76 19.97 69.87 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.686 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 55.91 30.31 15.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.799 0.333 . . . . 0.0 110.99 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 9.9 m -70.89 -35.1 72.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 14.4 mt -142.46 139.47 31.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.09 -33.8 6.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -69.29 169.75 11.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.116 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -128.35 30.18 5.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.297 -0.859 . . . . 0.0 110.881 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.782 0.325 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B 1102 ' ' ILE . . . . . 0.491 HG22 ' N ' ' B' 1103 ' ' SER . 16.4 mt -81.39 160.03 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1103 ' ' SER . . . . . 0.491 ' N ' HG22 ' B' 1102 ' ' ILE . 0.2 OUTLIER -59.11 169.46 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.815 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 8.9 p30 -83.71 126.52 70.68 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1105 ' ' PRO . . . . . 0.441 ' HG3' ' CE2' ' A' ' 692' ' ' TRP . 5.6 Cg_exo -75.95 173.68 14.09 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.494 2.129 . . . . 0.0 112.115 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -73.6 170.71 19.33 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.548 2.166 . . . . 0.0 112.224 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.32 154.98 65.06 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.544 2.163 . . . . 0.0 112.307 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 12.2 mt -96.22 145.57 25.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1109 ' ' ILE . . . . . 0.577 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -115.53 122.93 70.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.802 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.16 131.19 35.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.842 0.353 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 13.4 p -130.97 110.12 11.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.959 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -166.43 96.66 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.076 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 5.2 t70 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.879 0.371 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.63 99.86 7.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 13.8 m -86.42 173.4 9.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.737 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -140.63 96.68 3.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . 0.444 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -174.9 133.36 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.999 179.874 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.545 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 6.9 t -67.22 126.3 28.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.968 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.474 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.7 m0 -63.41 -21.36 66.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.577 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -101.62 -62.8 1.21 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.418 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.53 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 65.0 m -55.1 -60.99 2.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.592 -179.315 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.82 23.57 9.22 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.446 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -126.28 -64.07 1.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.82 0.343 . . . . 0.0 110.773 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -159.76 152.25 21.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.116 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.545 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.5 143.46 32.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.176 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 30.8 m -120.49 -4.82 9.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.672 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -109.66 155.99 20.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.879 0.371 . . . . 0.0 110.417 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . 0.577 ' HB ' HG13 ' B' 1109 ' ' ILE . 56.3 m -131.44 139.36 49.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.478 -178.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.642 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 39.6 t -68.93 107.02 2.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.322 179.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 54.7 p -67.38 -9.61 43.13 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.123 -0.49 . . . . 0.0 112.139 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -76.37 -49.25 8.42 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.437 -0.887 . . . . 0.0 112.361 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 26.3 p -110.44 -12.22 14.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.665 0.269 . . . . 0.0 111.127 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 4.2 m120 60.16 23.94 13.26 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 120.781 0.324 . . . . 0.0 111.133 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 98.6 m -122.59 -37.11 2.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.93 0.395 . . . . 0.0 112.022 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.964 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.47 155.33 39.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.885 -179.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 41.5 mmm-85 -138.31 141.81 39.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.508 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . 0.418 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 91.2 m-85 -152.08 148.16 27.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.608 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.443 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.8 p -92.97 -19.14 21.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.409 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.13 149.12 21.06 Favored Glycine 0 C--N 1.333 0.39 0 C-N-CA 120.139 -1.029 . . . . 0.0 112.813 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 20.0 p -49.07 -34.22 13.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.662 0.267 . . . . 0.0 111.362 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -70.23 -35.48 73.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.54 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 58.7 m -62.88 -42.17 99.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.44 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . 0.481 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -63.37 -37.63 88.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.931 -179.746 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . 0.481 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 10.4 m170 -70.46 -37.54 74.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.866 0.365 . . . . 0.0 111.561 179.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -52.26 66.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.061 0.458 . . . . 0.0 111.295 -179.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.09 -10.67 56.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.083 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.441 ' CE2' ' HG3' ' B' 1105 ' ' PRO . 8.5 t-105 -44.2 -46.46 8.92 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.569 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.1 OUTLIER -53.94 -37.82 64.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.643 0.259 . . . . 0.0 110.984 -179.696 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . 0.521 ' HG2' ' HG2' ' A' ' 693' ' ' GLU . 0.2 OUTLIER -87.25 -50.6 6.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.016 0.436 . . . . 0.0 111.163 179.551 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.964 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 65.0 t60 -57.59 -43.14 84.41 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -178.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.569 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 3.1 p80 -54.38 -29.23 47.91 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . 0.537 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 72.9 m-70 -60.99 -30.41 70.26 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 178.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.5 mt -94.79 -53.93 7.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.906 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 6.0 t -35.98 154.44 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 71.03 33.48 65.32 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.603 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -112.38 169.51 8.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.873 0.368 . . . . 0.0 110.848 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 7.0 m -137.13 96.35 3.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 5.0 tp -113.64 31.38 6.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.774 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -152.32 84.94 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -114.32 149.36 36.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -162.27 97.38 1.01 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.892 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B 1101 ' ' THR . . . . . 0.766 HG23 HG13 ' B' 1102 ' ' ILE . 13.8 t . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 120.814 0.34 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1102 ' ' ILE . . . . . 0.766 HG13 HG23 ' B' 1101 ' ' THR . 28.9 mt -104.16 160.39 4.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.026 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1103 ' ' SER . . . . . 0.501 ' N ' HG22 ' B' 1102 ' ' ILE . 69.4 m -56.94 -179.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.018 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 13.0 m120 -97.96 111.09 58.3 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1105 ' ' PRO . . . . . 0.447 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 39.3 Cg_endo -67.14 148.35 80.79 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.401 2.067 . . . . 0.0 112.372 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1106 ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' 1105 ' ' PRO . 51.1 Cg_exo -54.15 170.69 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.569 2.179 . . . . 0.0 112.159 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.54 160.35 49.78 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.553 2.169 . . . . 0.0 112.471 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1108 ' ' LEU . . . . . 0.489 HD11 ' HG2' ' A' ' 688' ' ' GLN . 17.6 mt -97.15 146.43 25.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1109 ' ' ILE . . . . . 0.575 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.2 pt -114.46 122.91 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.833 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.15 127.62 34.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.932 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 75.4 p -121.72 123.14 41.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -163.54 60.34 0.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.069 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 27.0 mtpt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 14.3 t70 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.841 0.353 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 9.0 p -135.36 177.98 7.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.02 -30.34 67.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -100.91 92.79 5.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . 0.449 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -175.33 133.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.968 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.566 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 7.8 t -69.74 126.48 29.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.111 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.486 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.3 m0 -63.03 -23.5 67.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.62 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . 0.403 ' OD1' ' HE2' ' A' ' 690' ' ' LYS . 4.1 t30 -99.78 -62.87 1.18 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.537 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.518 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.5 m -54.91 -60.48 3.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.545 -179.217 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.54 23.87 9.18 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.459 -0.877 . . . . 0.0 112.446 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.8 -65.14 0.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.807 0.336 . . . . 0.0 110.824 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -158.04 151.51 23.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.566 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -142.01 143.36 33.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.236 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.4 p -120.62 -5.39 9.74 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.733 -179.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -109.67 157.35 19.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.909 0.385 . . . . 0.0 110.344 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . 0.575 ' HB ' HG13 ' B' 1109 ' ' ILE . 71.1 m -134.37 139.55 45.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.583 -178.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.604 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 44.1 t -66.41 103.79 1.1 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.113 179.393 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 82.9 p -65.04 -10.1 27.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.154 -0.475 . . . . 0.0 112.156 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -78.49 -43.6 12.21 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.437 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 23.2 p -114.12 -14.07 12.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.701 0.286 . . . . 0.0 111.372 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.7 m120 60.14 23.69 12.99 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.091 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 78.6 m -121.96 -37.64 2.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.911 0.386 . . . . 0.0 111.984 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.92 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -75.04 155.11 37.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.74 -179.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -138.15 141.75 40.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.537 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . 0.46 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 89.6 m-85 -152.49 148.65 27.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.659 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.444 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.0 p -93.51 -18.94 21.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.392 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.57 150.38 22.46 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.164 -1.017 . . . . 0.0 113.144 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . 0.411 ' O ' ' HG3' ' A' ' 688' ' ' GLN . 4.6 p -51.12 -23.84 3.54 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -179.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -79.52 -35.66 39.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.358 . . . . 0.0 110.54 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 16.6 m -64.19 -45.58 87.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.228 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . 0.489 ' HG2' HD11 ' B' 1108 ' ' LEU . 0.0 OUTLIER -61.71 -42.49 99.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.767 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . 0.447 ' CD2' ' OE1' ' A' ' 688' ' ' GLN . 1.7 m170 -68.84 -36.94 78.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.288 179.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . 0.403 ' HE2' ' OD1' ' A' ' 665' ' ' ASN . 0.0 OUTLIER -57.29 -52.37 65.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.012 0.434 . . . . 0.0 111.252 -179.625 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.98 -9.83 57.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.112 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.447 ' CE2' ' HB3' ' B' 1105 ' ' PRO . 10.5 t-105 -45.59 -44.19 12.77 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.556 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.7 OUTLIER -52.9 -41.67 64.6 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.733 0.301 . . . . 0.0 111.343 -179.342 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . 0.479 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 50.1 mtmt -87.13 -47.68 8.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.932 0.396 . . . . 0.0 111.283 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.92 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 55.2 t60 -57.4 -42.84 83.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.392 -178.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.556 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 3.7 p80 -54.71 -28.83 50.77 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -178.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . 0.549 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 65.1 m-70 -61.29 -24.87 66.72 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.46 178.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . 0.4 ' CD1' ' HA ' ' A' ' 695' ' ' HIS . 0.1 OUTLIER -113.32 -6.02 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -178.577 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . 0.413 ' HB2' ' HA ' ' A' ' 696' ' ' HIS . 2.5 t -69.1 133.6 48.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.84 0.352 . . . . 0.0 111.057 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 101.7 -13.06 58.02 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.72 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 63.36 152.45 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.896 0.379 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . 0.922 HG23 HD12 ' A' ' 703' ' ' LEU . 5.2 t -62.51 -37.32 85.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . 0.922 HD12 HG23 ' A' ' 702' ' ' THR . 4.6 mp -90.63 150.61 21.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -99.12 133.5 43.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -110.29 128.31 55.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.34 136.65 38.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.855 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.841 0.353 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B 1102 ' ' ILE . . . . . 0.475 HG22 ' N ' ' B' 1103 ' ' SER . 19.1 mt -91.66 159.58 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.058 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B 1103 ' ' SER . . . . . 0.475 ' N ' HG22 ' B' 1102 ' ' ILE . 21.6 t -65.79 176.8 1.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -92.87 117.35 67.52 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.82 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B 1105 ' ' PRO . . . . . 0.434 ' HB3' ' CD2' ' A' ' 692' ' ' TRP . 49.5 Cg_endo -69.04 152.64 73.03 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.438 2.092 . . . . 0.0 112.348 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B 1106 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.16 168.86 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.525 2.15 . . . . 0.0 112.205 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.78 159.37 53.64 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.577 2.185 . . . . 0.0 112.418 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 7.1 mp -96.23 145.88 25.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.751 179.907 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B 1109 ' ' ILE . . . . . 0.589 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -115.98 123.01 70.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.02 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.95 128.11 34.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 81.8 p -123.58 109.99 14.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -135.44 79.47 1.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 13.1 mttt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.979 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 4.3 t0 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.826 0.346 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 1.4 m -106.26 110.54 22.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 14.3 m -141.55 135.87 30.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -130.33 90.5 2.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.982 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . 0.475 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 1.4 p -172.31 127.29 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 179.9 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.519 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 5.8 t -66.82 125.89 27.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -179.749 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.466 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.6 m0 -63.69 -20.09 65.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.381 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -102.05 -63.01 1.19 Allowed 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.487 -179.533 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.519 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 81.9 m -55.66 -60.8 2.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.642 -179.36 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.22 25.03 8.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.442 -0.885 . . . . 0.0 112.362 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -127.55 -60.06 1.19 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.895 0.378 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.5 OUTLIER -164.49 152.99 12.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.489 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -143.4 144.28 31.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.131 179.865 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.15 -4.32 10.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.721 -179.722 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -109.62 158.07 18.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.898 0.38 . . . . 0.0 110.429 179.723 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . 0.589 ' HB ' HG13 ' B' 1109 ' ' ILE . 79.4 m -133.01 139.28 47.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.436 -178.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.714 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 44.6 t -68.84 107.33 3.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.319 179.62 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 24.8 p -67.81 -9.92 48.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.152 -179.528 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -75.49 -50.72 7.91 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.197 179.894 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 26.7 p -109.92 -11.41 14.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.655 0.264 . . . . 0.0 111.127 179.543 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 7.1 m120 60.31 24.09 13.55 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.081 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 91.7 m -122.53 -37.12 2.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.033 -179.169 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.97 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -72.56 155.53 39.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.879 -179.367 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -138.4 142.0 39.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.493 179.503 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . 0.443 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 89.2 m-85 -152.06 147.59 26.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 110.815 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.446 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 19.8 p -92.3 -19.31 22.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.065 179.839 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.25 149.49 21.38 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 120.415 -0.897 . . . . 0.0 112.58 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 84.8 p -47.58 -39.0 15.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.743 0.306 . . . . 0.0 111.345 -179.799 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -64.14 -35.98 82.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.756 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 17.2 m -64.01 -42.66 97.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.877 0.37 . . . . 0.0 110.883 -179.715 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . 0.443 ' HA ' ' CZ ' ' A' ' 682' ' ' TYR . 0.0 OUTLIER -61.69 -44.8 96.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.174 -179.951 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . 0.429 ' HA ' ' HB2' ' A' ' 692' ' ' TRP . 12.9 m170 -68.56 -37.16 79.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.46 -179.86 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -52.44 65.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.051 0.453 . . . . 0.0 111.281 -179.547 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.08 -9.44 57.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.013 179.644 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.448 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 11.4 t-105 -45.75 -44.37 13.76 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.435 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.559 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.0 OUTLIER -52.83 -41.71 64.46 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.723 0.297 . . . . 0.0 111.345 -179.322 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . 0.478 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 22.2 mtmt -87.08 -47.45 8.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.365 . . . . 0.0 111.357 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.97 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 71.7 t60 -58.58 -42.3 87.73 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.459 0.541 . . . . 0.0 112.459 -178.711 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.559 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 3.4 p80 -54.62 -29.12 51.16 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.907 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . 0.544 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 66.8 m-70 -60.78 -30.42 70.03 Favored 'General case' 0 C--O 1.231 0.13 0 C-N-CA 120.516 -0.473 . . . . 0.0 109.759 178.125 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.2 mt -94.0 -54.0 7.74 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.798 -178.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.9 t -37.18 156.01 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -179.248 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 64.05 34.4 89.82 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.542 179.789 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -139.09 177.63 7.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.8 102.72 6.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.82 -173.55 3.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.59 154.53 19.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.911 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -132.97 109.86 9.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -145.53 177.46 8.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.889 179.918 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.836 0.351 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B 1102 ' ' ILE . . . . . 0.488 HG22 ' N ' ' B' 1103 ' ' SER . 1.5 mt -64.98 161.65 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.024 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B 1103 ' ' SER . . . . . 0.488 ' N ' HG22 ' B' 1102 ' ' ILE . 8.2 t -56.44 -168.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -98.08 107.37 40.6 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.031 -179.848 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B 1105 ' ' PRO . . . . . 0.491 ' HB3' ' CD2' ' A' ' 692' ' ' TRP . 30.9 Cg_endo -65.56 172.33 8.14 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.402 2.068 . . . . 0.0 112.498 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B 1106 ' ' PRO . . . . . 0.426 ' HG3' ' HA3' ' A' ' 676' ' ' GLY . 60.0 Cg_endo -71.99 162.87 40.55 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.547 2.165 . . . . 0.0 111.889 179.463 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.67 163.64 38.27 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.353 2.036 . . . . 0.0 112.488 -179.84 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 18.5 mt -99.85 148.18 24.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.026 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B 1109 ' ' ILE . . . . . 0.579 HG13 ' HB ' ' A' ' 673' ' ' THR . 0.8 OUTLIER -115.89 123.13 70.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.797 179.757 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 1.5 p -80.71 128.77 34.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 57.0 p -124.48 116.22 22.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -175.56 78.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.087 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.921 0.391 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 20.3 t -155.31 169.9 23.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.93 -37.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 64.35 92.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . 0.473 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -158.34 128.79 6.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.988 179.919 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.528 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 8.7 t -67.58 127.12 31.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.974 -179.872 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.48 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.2 m0 -63.4 -23.31 67.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.521 -179.785 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -99.47 -63.0 1.16 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.481 -179.469 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.528 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 90.2 m -54.92 -61.06 2.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.479 -179.414 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 101.55 24.83 8.5 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.357 -0.925 . . . . 0.0 112.523 -179.9 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 1.1 mmt-85 -127.58 -62.33 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.747 0.308 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 0.0 OUTLIER -161.35 152.5 18.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.925 0.393 . . . . 0.0 111.103 179.954 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.517 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -143.32 144.18 31.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.111 179.807 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.74 -5.28 10.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.674 -179.592 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -109.71 158.53 18.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.836 0.35 . . . . 0.0 110.403 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . 0.579 ' HB ' HG13 ' B' 1109 ' ' ILE . 78.5 m -135.45 139.55 44.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.546 -178.894 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.639 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 45.4 t -65.95 102.63 0.81 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.172 179.536 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 84.3 p -64.74 -10.17 25.59 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.208 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . 0.426 ' HA3' ' HG3' ' B' 1106 ' ' PRO . . . -78.94 -44.0 10.49 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.459 -0.877 . . . . 0.0 112.45 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 22.2 p -112.61 -14.22 13.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.717 0.294 . . . . 0.0 111.166 179.781 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 60.55 23.43 13.13 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.09 -179.828 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 68.0 m -121.86 -37.75 2.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.93 0.395 . . . . 0.0 112.01 -179.168 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.919 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -74.97 156.03 36.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.861 -179.321 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 30.0 mmm-85 -138.24 141.87 39.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.333 179.477 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 88.5 m-85 -152.21 147.22 26.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.66 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.449 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 19.2 p -92.49 -19.9 21.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.242 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.82 150.24 22.28 Favored Glycine 0 C--N 1.333 0.411 0 C-N-CA 120.275 -0.964 . . . . 0.0 112.836 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . 0.434 ' O ' ' HG2' ' A' ' 688' ' ' GLN . 93.1 p -46.85 -40.13 13.32 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.741 0.305 . . . . 0.0 111.515 -179.73 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -63.87 -34.56 78.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.749 0.309 . . . . 0.0 110.518 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 14.2 m -64.99 -46.31 81.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.116 -179.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . 0.548 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 1.2 pt20 -61.93 -41.43 97.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.593 -179.845 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . 0.548 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 18.5 m170 -70.63 -37.07 73.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.467 179.706 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -52.47 65.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.018 0.437 . . . . 0.0 111.507 -179.368 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -84.85 -8.43 58.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.029 179.835 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.491 ' CD2' ' HB3' ' B' 1105 ' ' PRO . 7.2 t-105 -45.41 -44.71 12.28 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -179.456 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.552 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.1 OUTLIER -53.02 -41.41 64.67 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.754 0.311 . . . . 0.0 111.337 -179.418 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . 0.485 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 41.1 mtmt -87.16 -47.75 8.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.211 -179.899 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.919 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 53.0 t60 -57.47 -42.04 81.82 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -178.559 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.556 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 4.2 p80 -54.66 -28.85 50.25 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.927 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . 0.556 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 70.7 m-70 -61.67 -24.98 67.11 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.574 178.527 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.72 -6.33 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -178.366 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 1.8 t -69.19 133.4 47.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.858 0.361 . . . . 0.0 111.058 -179.653 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 95.97 24.64 14.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.518 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -169.35 120.79 0.72 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.834 0.35 . . . . 0.0 110.823 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 21.6 m -68.64 -51.2 44.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.88 143.86 50.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 179.928 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -126.53 120.86 30.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -135.58 32.6 3.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.099 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -134.87 81.58 1.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.98 179.937 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 5.0 t . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.847 0.356 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B 1102 ' ' ILE . . . . . 0.484 HG22 ' N ' ' B' 1103 ' ' SER . 20.1 mt -125.95 159.7 33.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B 1103 ' ' SER . . . . . 0.484 ' N ' HG22 ' B' 1102 ' ' ILE . 0.4 OUTLIER -66.02 169.37 6.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.943 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B 1104 ' ' ASN . . . . . 0.448 ' HA ' ' HD3' ' B' 1105 ' ' PRO . 79.2 m-20 -81.86 125.07 78.63 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B 1105 ' ' PRO . . . . . 0.457 ' HG3' ' CD1' ' A' ' 692' ' ' TRP . 6.2 Cg_exo -76.64 171.03 18.76 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.519 2.146 . . . . 0.0 112.273 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B 1106 ' ' PRO . . . . . 0.411 ' HG3' ' HA3' ' A' ' 676' ' ' GLY . 73.3 Cg_endo -76.02 170.32 20.32 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.603 2.202 . . . . 0.0 112.144 179.83 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.83 155.67 61.96 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.483 2.122 . . . . 0.0 112.433 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B 1108 ' ' LEU . . . . . 0.406 HD23 ' HA ' ' B' 1108 ' ' LEU . 31.6 mt -95.62 145.41 25.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.787 179.897 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B 1109 ' ' ILE . . . . . 0.582 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -114.74 122.89 69.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.925 179.756 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 39.0 p -87.44 128.88 35.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 51.4 p -119.99 113.96 21.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -151.43 97.65 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 48.3 mttp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.996 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 3.1 t70 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.88 0.371 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 4.2 m -128.48 97.97 4.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 65.0 m -108.47 170.65 7.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.804 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -98.04 76.81 2.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . 0.433 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.2 OUTLIER -173.79 135.92 0.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 179.953 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.586 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 7.7 t -68.23 126.86 30.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 -179.8 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.498 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.0 m0 -62.56 -26.66 68.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.495 -179.894 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -96.53 -62.77 1.22 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.517 -179.374 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.564 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 63.8 m -54.68 -61.0 2.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.508 -179.344 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.19 24.77 7.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.373 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.76 -70.23 0.65 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.797 0.332 . . . . 0.0 110.935 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 11.6 mmtp -150.75 149.75 30.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.07 0.462 . . . . 0.0 111.357 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.586 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -141.67 143.41 33.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.89 179.615 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.77 -4.32 9.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.768 -179.497 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.73 157.26 19.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.906 0.384 . . . . 0.0 110.421 179.849 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . 0.582 ' HB ' HG13 ' B' 1109 ' ' ILE . 58.4 m -133.52 139.49 46.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.484 -178.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.67 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 40.7 t -68.36 107.21 2.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.271 179.482 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 83.8 p -68.16 -9.42 46.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 112.219 -179.273 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . 0.411 ' HA3' ' HG3' ' B' 1106 ' ' PRO . . . -79.05 -45.03 9.27 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.452 -0.88 . . . . 0.0 112.412 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 17.4 p -111.95 -14.3 13.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.712 0.292 . . . . 0.0 111.053 179.755 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 3.1 m120 60.82 22.65 12.68 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.973 -179.809 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 100.0 m -122.04 -36.74 2.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.918 0.39 . . . . 0.0 111.991 -179.121 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.963 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -74.18 154.0 39.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.057 -179.266 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -138.31 141.78 39.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.396 179.457 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . 0.421 ' CE1' ' HA ' ' A' ' 688' ' ' GLN . 91.0 m-85 -152.32 148.99 28.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.779 0.323 . . . . 0.0 110.721 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.433 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.7 p -92.64 -18.58 22.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.33 -179.86 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.55 149.93 21.86 Favored Glycine 0 C--N 1.334 0.433 0 C-N-CA 120.25 -0.976 . . . . 0.0 112.734 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 8.9 p -48.0 -39.27 19.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.742 0.306 . . . . 0.0 111.44 -179.778 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -66.21 -34.36 77.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.768 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 67.0 m -63.76 -41.9 97.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.685 0.279 . . . . 0.0 111.395 -179.372 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . 0.489 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -65.29 -36.91 85.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.959 -179.691 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . 0.489 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 8.8 m170 -70.59 -37.36 73.91 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.621 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -52.38 65.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.041 0.448 . . . . 0.0 111.394 -179.432 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.14 -10.33 56.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.182 179.808 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.457 ' CD1' ' HG3' ' B' 1105 ' ' PRO . 9.7 t-105 -44.68 -45.16 9.58 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.361 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.542 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.3 OUTLIER -53.0 -41.2 64.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.708 0.289 . . . . 0.0 111.3 -179.284 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . 0.49 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 32.0 mtmt -87.3 -47.84 8.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.975 0.416 . . . . 0.0 111.318 179.839 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.963 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 60.6 t60 -59.23 -40.7 86.71 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -178.452 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.551 ' CE1' ' CE1' ' A' ' 697' ' ' HIS . 3.7 p80 -54.24 -29.12 45.47 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -178.533 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . 0.551 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 68.2 m-70 -59.98 -30.42 69.1 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.436 178.586 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . 0.476 HD11 ' HD1' ' A' ' 695' ' ' HIS . 3.3 pt -106.61 -3.44 9.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -178.532 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 1.8 t -66.33 102.37 0.85 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.083 0.468 . . . . 0.0 110.858 -179.175 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 79.77 1.03 86.52 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.003 -179.418 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 55.34 30.93 15.72 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.742 0.305 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.6 157.12 18.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 -179.891 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.39 -38.11 3.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 61.98 176.27 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . 61.15 104.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -127.69 36.67 4.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.883 179.937 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B 1101 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.829 0.347 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B 1102 ' ' ILE . . . . . 0.484 HG22 ' N ' ' B' 1103 ' ' SER . 20.0 mt -103.93 159.72 4.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B 1103 ' ' SER . . . . . 0.484 ' N ' HG22 ' B' 1102 ' ' ILE . 4.2 t -64.22 -175.47 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 -179.905 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 29.0 m120 -99.14 112.81 63.92 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B 1105 ' ' PRO . . . . . 0.43 ' HB3' ' CE2' ' A' ' 692' ' ' TRP . 41.8 Cg_endo -67.58 148.78 79.03 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.432 2.088 . . . . 0.0 112.286 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B 1106 ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' 1105 ' ' PRO . 51.5 Cg_exo -54.4 170.86 0.48 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.485 2.123 . . . . 0.0 112.223 179.908 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.91 158.8 54.49 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.521 2.148 . . . . 0.0 112.422 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B 1108 ' ' LEU . . . . . . . . . . . . . 8.5 mt -96.05 145.36 25.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B 1109 ' ' ILE . . . . . 0.581 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.4 pt -115.62 122.93 70.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.886 179.86 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.68 129.66 34.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 21.5 p -121.37 124.52 44.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -162.24 78.65 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 34.0 mmtt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.916 179.972 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 2.0 t0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.874 0.368 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 7.7 t -72.87 93.55 1.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 2.9 m -122.46 -42.3 2.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.003 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -144.08 138.26 28.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . 0.408 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.3 OUTLIER -177.2 135.34 0.2 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.832 179.879 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.562 ' HB3' ' HB2' ' A' ' 666' ' ' CYS . 5.6 t -70.42 126.08 28.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.202 -179.778 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.466 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.3 m0 -63.33 -25.56 68.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.375 179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -96.36 -62.65 1.24 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.435 -179.468 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.562 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 66.2 m -55.4 -60.94 2.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.445 -179.325 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 103.82 24.29 7.8 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.41 -0.9 . . . . 0.0 112.428 -179.899 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -129.31 -73.99 0.56 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.767 0.318 . . . . 0.0 110.849 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 18.1 mmmt -146.56 149.18 33.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.034 0.445 . . . . 0.0 111.478 -179.836 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.552 ' HB2' ' CA ' ' A' ' 663' ' ' CYS . . . -140.42 142.57 35.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.989 179.537 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 1.7 m -120.54 -5.14 9.79 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.785 -179.519 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -109.67 156.99 19.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.926 0.393 . . . . 0.0 110.465 179.844 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . 0.581 ' HB ' HG13 ' B' 1109 ' ' ILE . 88.4 m -132.17 139.4 48.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.456 -178.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.689 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 39.5 t -69.16 107.29 3.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.345 179.558 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 20.7 p -67.32 -9.76 44.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.16 -179.385 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . . . . . . . . . . . -75.99 -49.85 8.28 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.3 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 25.7 p -110.32 -11.8 14.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.713 0.292 . . . . 0.0 111.136 179.537 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 60.24 23.63 13.02 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.984 -179.895 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 94.0 m -122.39 -36.76 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.871 0.367 . . . . 0.0 111.948 -179.208 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.989 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.18 154.13 40.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.784 -179.407 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -138.27 141.95 39.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.539 179.617 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . 0.427 ' CZ ' ' HA ' ' A' ' 688' ' ' GLN . 91.6 m-85 -152.22 149.3 28.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.799 0.333 . . . . 0.0 110.672 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.438 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 21.1 p -93.29 -19.03 21.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.425 -179.818 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -149.23 149.22 21.16 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 120.246 -0.978 . . . . 0.0 112.8 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . . . . . . . . . 1.8 p -47.33 -40.02 16.24 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.7 0.286 . . . . 0.0 111.423 -179.853 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -66.2 -33.62 76.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.72 179.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 68.0 m -63.74 -43.02 97.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.522 -179.399 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . 0.486 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 0.0 OUTLIER -65.4 -37.44 86.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.824 -179.716 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . 0.486 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 8.5 m170 -70.4 -37.24 74.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 0.0 111.319 179.789 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -52.18 66.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.089 0.471 . . . . 0.0 111.109 -179.609 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.99 -10.0 57.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.04 179.747 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.448 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 9.2 t-105 -45.73 -44.62 13.86 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 111.782 0.289 . . . . 0.0 111.782 -179.497 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.556 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.1 OUTLIER -52.82 -43.1 65.72 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.622 0.249 . . . . 0.0 111.487 -179.216 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . 0.486 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 11.0 ptpt -87.0 -44.7 11.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.383 -179.758 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.989 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 77.1 t60 -60.75 -41.86 96.25 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -178.791 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.556 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 3.9 p80 -54.59 -29.27 51.1 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -178.837 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . 0.548 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 66.6 m-70 -60.45 -31.12 70.12 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.097 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.7 mt -92.14 -53.98 7.96 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.782 -179.036 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 4.6 t -37.08 156.39 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.254 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 68.04 35.36 83.73 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.6 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -90.55 145.09 25.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.778 0.323 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.74 83.23 4.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . . . . . . . . . 1.4 tp -103.55 116.71 32.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 60.18 78.26 0.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -133.49 -48.99 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.109 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -96.39 -175.05 3.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.821 -179.972 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B 1101 ' ' THR . . . . . 0.487 HG22 ' H ' ' B' 1102 ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.816 0.341 . . . . 0.0 111.227 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B 1102 ' ' ILE . . . . . 0.487 ' H ' HG22 ' B' 1101 ' ' THR . 5.4 mt -102.65 160.65 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.964 -179.937 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B 1103 ' ' SER . . . . . 0.487 ' N ' HG22 ' B' 1102 ' ' ILE . 4.5 m -54.75 -174.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B 1104 ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -98.98 106.47 38.14 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.002 -179.868 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B 1105 ' ' PRO . . . . . 0.475 ' HB3' ' CD2' ' A' ' 692' ' ' TRP . 40.8 Cg_endo -68.4 149.4 74.99 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.361 2.041 . . . . 0.0 112.462 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B 1106 ' ' PRO . . . . . 0.432 ' HG2' ' HA3' ' A' ' 676' ' ' GLY . 53.8 Cg_exo -52.42 168.02 0.48 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.541 2.161 . . . . 0.0 111.931 179.668 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B 1107 ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -74.04 164.57 34.1 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.454 2.103 . . . . 0.0 112.635 -179.727 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B 1108 ' ' LEU . . . . . 0.523 HD21 ' HB2' ' A' ' 682' ' ' TYR . 6.5 mp -98.63 147.03 25.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.196 -179.787 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B 1109 ' ' ILE . . . . . 0.577 HG13 ' HB ' ' A' ' 673' ' ' THR . 1.3 pt -116.31 123.04 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.638 179.481 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B 1110 ' ' SER . . . . . . . . . . . . . 2.7 p -84.17 131.51 34.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.851 0.358 . . . . 0.0 110.997 -179.839 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B 1111 ' ' SER . . . . . . . . . . . . . 46.9 p -131.41 113.87 14.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.959 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B 1112 ' ' ALA . . . . . . . . . . . . . . . -146.93 115.89 6.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.044 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B 1113 ' ' LYS . . . . . . . . . . . . . 1.3 mmtt . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.96 179.936 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 658' ' ' ASP . . . . . . . . . . . . . 32.9 t0 . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.795 0.331 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 659' ' ' SER . . . . . . . . . . . . . 24.5 m -123.75 120.46 32.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.35 -171.39 3.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 661' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 62.09 101.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . 0.419 ' HA ' ' HA ' ' A' ' 669' ' ' LYS . 0.3 OUTLIER -175.39 131.2 0.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 179.854 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 663' ' ' CYS . . . . . 0.534 ' HA ' ' HB2' ' A' ' 670' ' ' ALA . 6.9 t -65.67 126.66 29.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.041 -179.772 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 664' ' ' TRP . . . . . 0.466 ' CZ2' ' HA ' ' A' ' 680' ' ' ALA . 15.1 m0 -63.79 -22.12 66.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.335 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 665' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -98.77 -63.34 1.13 Allowed 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.271 -179.644 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.523 ' HB2' ' HB3' ' A' ' 663' ' ' CYS . 84.2 m -55.62 -61.07 2.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.526 -179.383 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 104.06 25.78 6.97 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.37 -0.919 . . . . 0.0 112.452 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 15.0 ttt85 -130.87 -71.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.664 0.269 . . . . 0.0 111.006 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 662' ' ' SER . 4.2 mmtp -149.2 150.14 32.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.036 0.446 . . . . 0.0 111.473 -179.911 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 670' ' ' ALA . . . . . 0.534 ' HB2' ' HA ' ' A' ' 663' ' ' CYS . . . -141.49 143.06 33.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.952 179.543 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 671' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.36 -5.6 10.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.75 -179.482 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 672' ' ' GLU . . . . . 0.422 ' HB2' HD23 ' B' 1108 ' ' LEU . 1.3 mm-40 -109.76 158.96 17.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.785 0.326 . . . . 0.0 110.43 179.873 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 673' ' ' THR . . . . . 0.577 ' HB ' HG13 ' B' 1109 ' ' ILE . 58.5 m -133.62 139.45 46.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.497 -178.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . 0.709 ' CB ' ' HB3' ' A' ' 680' ' ' ALA . 43.7 t -68.11 106.37 2.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.255 179.507 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 675' ' ' SER . . . . . . . . . . . . . 86.7 p -67.12 -9.9 44.5 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.111 -179.352 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 676' ' ' GLY . . . . . 0.432 ' HA3' ' HG2' ' B' 1106 ' ' PRO . . . -76.08 -50.27 7.82 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.394 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 677' ' ' CYS . . . . . . . . . . . . . 25.6 p -109.24 -11.8 14.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.645 0.26 . . . . 0.0 111.125 179.411 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 678' ' ' ASN . . . . . . . . . . . . . 1.7 m120 60.41 23.62 13.19 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.075 -179.887 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 679' ' ' THR . . . . . . . . . . . . . 98.3 m -122.67 -36.78 2.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.962 0.41 . . . . 0.0 112.021 -179.235 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 680' ' ' ALA . . . . . 0.969 ' HB2' ' CE1' ' A' ' 695' ' ' HIS . . . -73.56 155.39 39.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.847 -179.46 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 681' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -138.31 141.94 39.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.376 179.482 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 682' ' ' TYR . . . . . 0.523 ' HB2' HD21 ' B' 1108 ' ' LEU . 89.3 m-85 -152.09 147.6 26.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.707 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.446 ' HB3' ' HA ' ' A' ' 670' ' ' ALA . 20.4 p -92.81 -18.91 22.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.347 -179.85 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 684' ' ' GLY . . . . . . . . . . . . . . . -150.66 150.94 23.02 Favored Glycine 0 C--N 1.335 0.495 0 C-N-CA 120.138 -1.029 . . . . 0.0 112.948 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 685' ' ' SER . . . . . 0.449 ' O ' ' HG2' ' A' ' 688' ' ' GLN . 25.8 p -48.47 -36.05 14.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.724 0.297 . . . . 0.0 111.635 -179.754 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 686' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -67.75 -34.56 77.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.849 0.357 . . . . 0.0 110.476 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 687' ' ' CYS . . . . . . . . . . . . . 15.2 m -64.69 -45.32 87.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.319 -179.769 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 688' ' ' GLN . . . . . 0.514 ' HG3' ' N ' ' A' ' 689' ' ' HIS . 1.8 pt20 -61.89 -42.11 98.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.578 -179.859 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 689' ' ' HIS . . . . . 0.514 ' N ' ' HG3' ' A' ' 688' ' ' GLN . 15.4 m170 -70.5 -37.26 74.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.331 179.643 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 690' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -52.47 65.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.311 -179.508 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.74 -8.31 58.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.943 179.769 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 692' ' ' TRP . . . . . 0.48 ' CE3' ' HB3' ' A' ' 696' ' ' HIS . 7.0 t-105 -45.77 -44.15 13.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.753 -179.532 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . 0.558 ' HA ' ' CD2' ' A' ' 696' ' ' HIS . 0.1 OUTLIER -53.06 -41.63 65.01 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.767 0.318 . . . . 0.0 111.359 -179.481 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 694' ' ' LYS . . . . . 0.489 ' HA ' ' CD2' ' A' ' 697' ' ' HIS . 22.0 mtmm -87.02 -47.6 8.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.917 0.389 . . . . 0.0 111.344 -179.889 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 695' ' ' HIS . . . . . 0.969 ' CE1' ' HB2' ' A' ' 680' ' ' ALA . 72.8 t60 -59.12 -41.0 87.17 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -178.595 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 696' ' ' HIS . . . . . 0.558 ' CD2' ' HA ' ' A' ' 693' ' ' GLU . 3.6 p80 -54.72 -29.4 53.24 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -178.585 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 697' ' ' HIS . . . . . 0.546 ' CE1' ' CE1' ' A' ' 696' ' ' HIS . 69.4 m-70 -61.66 -31.69 71.81 Favored 'General case' 0 C--N 1.333 -0.111 0 C-N-CA 120.431 -0.508 . . . . 0.0 109.865 178.396 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 2.7 mt -92.22 -54.97 6.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.983 -178.81 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 699' ' ' CYS . . . . . . . . . . . . . 5.2 t -36.35 154.45 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.489 0.552 . . . . 0.0 112.489 -179.243 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 700' ' ' GLY . . . . . . . . . . . . . . . 69.4 10.48 63.12 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.749 -0.66 . . . . 0.0 113.042 179.834 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 701' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 54.12 81.65 0.1 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.759 0.314 . . . . 0.0 111.162 179.92 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 702' ' ' THR . . . . . 0.453 HG22 ' H ' ' A' ' 703' ' ' LEU . 0.2 OUTLIER 60.47 -170.44 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.952 179.882 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 703' ' ' LEU . . . . . 0.453 ' H ' HG22 ' A' ' 702' ' ' THR . 1.6 tt -71.11 91.89 0.94 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.815 179.902 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 704' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -81.61 160.63 23.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.061 -179.915 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 705' ' ' ALA . . . . . . . . . . . . . . . -81.65 -176.2 5.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.993 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 706' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -146.51 91.41 2.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 707' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.971 179.978 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_